data_2kor_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 2kor _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.41 -0.589 . . . . 1.29 109.41 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 1.32 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.439 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 1.14 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 1.12 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 1.12 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.37 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 1.52 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 1.08 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 1.13 110.238 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.717 HG13 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 1.07 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 HG23 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 1.43 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 1.25 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HG13 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 1.19 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.64 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 1.21 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG12 HG13 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 1.31 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 3.04 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 1.58 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 2.34 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.736 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.73 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.92 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 1.23 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.94 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 1.36 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.57 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.54 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.71 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 1.13 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 1.47 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 1.17 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 1.43 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 1.11 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 1.22 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.707 ' HA ' HG11 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 3.46 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.51 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 1.55 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.71 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.6 HD13 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 1.23 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 1.11 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG21 HD11 ' A' ' 66' ' ' LEU . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 1.22 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.88 115.308 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 1.25 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 3.4 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.736 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 1.08 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.662 HG13 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 1.08 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 1.03 112.42 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 1.08 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 2.43 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 1.43 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 HD13 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 1.09 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 1.2 111.772 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.69 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.6 pt20 . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.38 110.656 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 108.708 -0.849 . . . . 1.29 108.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 1.32 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.751 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 1.14 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 1.12 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 1.12 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.37 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 1.52 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 1.08 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 1.13 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 1.07 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.78 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 1.43 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 1.25 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 1.19 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.64 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.563 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 1.21 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 1.31 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 3.04 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 1.58 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 2.34 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.73 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.92 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 1.23 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.94 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 1.36 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.57 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.54 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' O ' HG21 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.71 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 1.13 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 1.47 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 1.17 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 1.43 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 1.11 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 1.22 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 3.46 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.51 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 1.55 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' H ' HG21 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.71 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 1.23 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 1.11 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG13 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.559 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 1.22 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.88 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 1.25 111.106 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 3.4 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 1.08 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 1.03 112.795 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.726 ' HA ' HG22 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 1.08 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 2.43 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.559 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 1.43 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.59 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 1.09 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 1.2 109.066 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.69 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.38 109.564 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.237 0 N-CA-C 108.909 -0.775 . . . . 1.29 108.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 1.32 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 1.14 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 1.12 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 1.12 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.37 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 11' ' ' LEU . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 1.52 112.034 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 1.08 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 1.13 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.672 HG13 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 1.07 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 1.43 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 1.25 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.672 ' HB ' HG13 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 1.19 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.64 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 1.21 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 HD23 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 1.31 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 3.04 111.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD21 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 1.58 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 2.34 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.73 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.92 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 1.23 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.94 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 1.36 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.57 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.54 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.71 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 1.13 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 1.47 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 1.17 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 1.43 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 1.11 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 1.22 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 3.46 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.659 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.51 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.777 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 1.55 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.644 ' H ' HG21 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.71 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 1.23 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 1.11 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 1.22 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.88 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 HG21 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 1.25 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 3.4 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 1.08 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 1.08 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.429 ' HA2' HD21 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 1.03 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.593 ' HA ' HG23 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 1.08 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 2.43 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 1.43 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 1.09 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 1.2 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.69 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.777 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.3 pt20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.38 110.997 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 1.29 108.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.417 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 1.32 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 1.14 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 1.12 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 1.12 112.004 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.37 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 1.52 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.727 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 1.08 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 1.13 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 1.07 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 1.43 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 1.25 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.664 ' HB ' HG11 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 1.19 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.64 113.875 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.727 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 1.21 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 HG12 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 1.31 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 3.04 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 1.58 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.951 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 2.34 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.763 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.73 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.92 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 1.23 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG13 HG23 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.94 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.662 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.68 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 1.36 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 42' ' ' SER . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.57 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.662 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.54 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.68 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.71 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 1.13 109.846 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 1.47 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG21 HG12 ' A' ' 63' ' ' VAL . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 1.17 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 1.43 111.609 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 1.11 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 1.22 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 3.46 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.51 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 1.55 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.71 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.94 HG22 ' HH ' ' A' ' 75' ' ' TYR . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 1.23 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 1.11 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG11 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 1.22 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.88 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 1.25 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 3.4 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.763 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 1.08 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 HG11 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 1.08 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' HA2' HD23 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 1.03 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.57 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 1.08 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 2.43 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.94 ' HH ' HG22 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 1.43 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 1.09 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 1.2 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.69 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.787 ' HB3' HG13 ' A' ' 56' ' ' VAL . 3.1 pt20 . . . . . 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.38 113.376 -177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 1.29 108.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 1.32 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 1.14 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 1.12 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 1.12 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.37 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 1.52 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 1.08 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 1.13 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.705 HG13 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 1.07 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 1.43 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 1.25 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.705 ' HB ' HG13 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 1.19 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.64 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.607 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 1.21 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.705 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 1.31 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 3.04 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 1.58 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 2.34 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.749 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.73 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.92 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.578 ' HB3' ' CB ' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 1.23 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.94 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 1.36 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.57 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.549 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.54 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.71 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 1.13 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 1.47 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 1.17 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 1.43 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 1.11 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 1.22 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 3.46 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.51 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 1.55 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.675 ' H ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.71 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 1.23 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 1.11 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.565 HG13 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 1.22 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.88 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 1.25 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 3.4 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 1.08 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 1.08 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 1.03 112.893 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.531 ' HA ' HG23 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 1.08 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 2.43 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 1.43 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 1.09 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 1.2 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.69 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.0 pt20 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.38 107.61 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 110.043 -0.355 . . . . 1.29 110.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.58 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 1.32 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 1.14 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 1.12 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 1.12 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.37 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 1.52 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 1.08 112.976 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HA ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 1.13 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 1.07 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 1.43 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 1.25 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 1.19 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.637 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.64 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 13' ' ' GLU . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 1.21 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.724 HG13 HG12 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 1.31 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 3.04 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 1.58 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.809 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 2.34 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.73 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.92 112.996 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 1.23 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG11 HG11 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.94 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 1.36 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.57 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' HD11 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.54 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.71 112.718 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 1.13 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG13 HG23 ' A' ' 14' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 1.47 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 1.17 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 1.43 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 1.11 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 1.22 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 3.46 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.51 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 1.55 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.665 ' H ' HG23 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.71 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 1.23 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 1.11 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 1.22 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.88 112.841 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 1.25 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 3.4 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 1.08 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.724 HG12 HG13 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 1.08 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 1.03 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 1.08 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.556 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 2.43 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 1.43 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 HG12 HD13 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 1.09 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 1.2 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.69 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' CA ' HG22 ' A' ' 56' ' ' VAL . 3.6 pt20 . . . . . 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.38 112.595 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.556 -0.905 . . . . 1.29 108.556 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 1.32 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 1.14 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 1.12 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 1.12 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.37 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 11' ' ' LEU . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 1.52 113.121 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 1.08 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 1.13 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.658 HG11 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 1.07 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.517 HG13 HG21 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 1.43 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 1.25 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' HG11 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 1.19 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.64 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.738 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 1.21 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.594 ' HA ' ' HZ3' ' A' ' 27' ' ' LYS . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.734 HG21 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 1.31 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HZ3' ' HA ' ' A' ' 25' ' ' ASP . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 3.04 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.697 ' HA ' HG22 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 1.58 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 2.34 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.73 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.686 ' HA ' HD13 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.92 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.686 HD13 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 1.23 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.94 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.836 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 1.36 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.57 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.836 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.54 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.71 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' HG21 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 1.13 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG21 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 1.47 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 1.17 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 1.43 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 1.11 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 1.22 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HA ' HG11 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 3.46 112.475 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.734 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.51 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.689 HG11 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 1.55 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.605 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.71 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 1.23 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 1.11 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 1.22 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.88 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 1.25 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 3.4 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 1.08 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 1.08 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 1.03 112.959 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 ' HA ' HG22 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 1.08 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 2.43 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 1.43 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.463 HG22 HE21 ' A' ' 80' ' ' GLN . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 1.09 109.52 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 1.2 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.69 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.463 HE21 HG22 ' A' ' 76' ' ' ILE . 54.5 mt-30 . . . . . 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.38 113.29 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 109.853 -0.425 . . . . 1.29 109.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 1.32 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 1.14 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 1.12 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 1.12 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.37 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 1.52 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 1.08 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 1.13 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.618 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 1.07 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 1.43 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 1.25 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.618 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 1.19 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.64 114.227 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 1.21 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 HG13 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 1.31 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 3.04 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 1.58 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 2.34 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.73 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.92 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 1.23 111.949 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.703 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.94 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 38' ' ' VAL . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 1.36 117.515 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.57 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.613 ' N ' HD13 ' A' ' 41' ' ' LEU . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.54 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.71 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 1.13 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 1.47 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 1.17 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 1.43 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 1.11 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 1.22 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.727 ' HA ' HG11 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 3.46 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.51 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.727 HG11 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 1.55 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' H ' HG23 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.71 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 1.23 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 1.11 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.582 ' HA ' HG13 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.596 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG13 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 1.22 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.88 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 HD11 HG22 ' A' ' 63' ' ' VAL . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 1.25 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 3.4 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.647 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 1.08 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG13 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 1.08 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 1.03 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 1.08 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 2.43 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 1.43 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 1.09 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 1.2 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.69 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 . . . . . 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.38 108.907 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 107.855 -1.165 . . . . 1.29 107.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 1.32 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.793 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 1.14 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 1.12 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 1.12 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.37 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 1.52 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 1.08 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 17' ' ' GLU . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 1.13 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.68 HG13 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 1.07 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 1.43 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 1.25 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.68 ' HB ' HG13 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 1.19 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.64 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 1.21 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 1.31 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 3.04 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HA ' HG21 ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 1.58 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 2.34 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.774 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.73 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.92 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 1.23 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.94 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 1.36 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.57 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.611 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.54 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.599 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.71 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 1.13 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' HA ' HD13 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 1.47 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.74 HG22 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 1.17 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 1.43 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 1.11 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 1.22 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 3.46 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.793 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.51 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 HG22 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 1.55 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.71 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 1.23 108.239 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 1.11 112.151 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 1.22 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.88 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 1.25 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 3.4 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 1.08 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 1.08 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 1.03 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 1.08 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 2.43 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 1.43 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.59 HG22 HG12 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 1.09 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 1.2 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.69 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 3.9 pt20 . . . . . 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.38 111.151 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 1.29 110.236 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 1.32 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 1.14 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 1.12 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 1.12 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.37 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 1.52 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 1.08 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 HG11 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 1.13 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 1.07 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 1.43 111.672 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 1.25 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 1.19 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.64 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 1.21 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 1.31 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 3.04 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 1.58 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 2.34 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.73 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.92 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.736 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 1.23 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.94 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.773 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' HG21 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 1.36 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.57 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.773 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.54 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.71 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 1.47 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 1.17 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 1.43 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 1.11 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 1.22 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HA ' HG13 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 3.46 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.51 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.685 HG13 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 1.55 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.71 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.534 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 1.23 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 1.11 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 1.22 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.88 113.29 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 1.25 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 3.4 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.733 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 1.08 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 1.08 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 1.03 112.561 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.592 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 1.08 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 2.43 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 1.43 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 1.09 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 1.2 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.69 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.38 112.06 -179.369 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 107.067 -1.457 . . . . 1.29 107.067 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 1.32 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 1.14 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 1.12 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 1.12 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.37 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 1.52 111.223 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 1.08 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 1.13 109.719 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 1.07 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 1.43 110.743 -177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 1.25 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 1.19 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLU . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.64 114.951 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.752 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 1.21 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' PRO . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 1.31 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HZ2' ' A' ' 27' ' ' LYS . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 3.04 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 1.58 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 2.34 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.73 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.583 ' HA ' HD11 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.92 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 1.23 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.94 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 1.36 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.57 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.54 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.497 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.71 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 1.13 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 1.47 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 1.17 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 1.43 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 1.11 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 1.22 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.69 ' HA ' HG13 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 3.46 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.51 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 1.55 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.597 ' H ' HG21 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.71 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 1.23 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 1.11 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 1.22 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.88 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.743 HD21 ' HH ' ' A' ' 75' ' ' TYR . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 3.4 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.507 HG21 ' HG2' ' A' ' 67' ' ' LYS . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 1.08 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 1.08 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 1.03 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 1.08 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 2.43 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.743 ' HH ' HD21 ' A' ' 65' ' ' ASN . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 1.43 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 1.09 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 1.2 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.69 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.38 110.441 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 107.617 -1.253 . . . . 1.29 107.617 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 1.32 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 1.14 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 1.12 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 1.12 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.37 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 1.52 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 1.08 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 HG23 HG11 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 1.13 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 1.07 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 1.43 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 1.25 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.664 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 1.19 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.64 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.566 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 1.21 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 1.31 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 3.04 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.733 ' HA ' HG21 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 1.58 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 2.34 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.73 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.92 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 1.23 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.94 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 1.36 116.011 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.57 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.618 ' N ' HD12 ' A' ' 41' ' ' LEU . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.54 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.71 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' HG21 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 1.13 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 1.47 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 1.17 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 1.43 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 1.11 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 1.22 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG11 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 3.46 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.51 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG11 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 1.55 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.617 ' H ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.71 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.61 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 1.23 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 1.11 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 1.22 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.88 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 1.25 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 3.4 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 1.08 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 1.08 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 1.03 112.665 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 1.08 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 2.43 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.429 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 1.43 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 1.09 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 1.2 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.69 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.8 pt20 . . . . . 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.38 111.382 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.087 -0.709 . . . . 1.29 109.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 1.32 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 1.14 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 1.12 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 1.12 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.37 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 1.52 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 1.08 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 1.13 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 1.07 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 1.43 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 1.25 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.589 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 1.19 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.64 113.882 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 1.21 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.661 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.655 HG13 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 1.31 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 3.04 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.716 ' HA ' HG23 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 1.58 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 2.34 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.73 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.92 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 1.23 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 40' ' ' SER . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.94 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 1.36 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.57 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.54 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.71 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 1.13 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 1.47 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 1.17 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 1.43 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 1.11 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 1.22 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 3.46 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.734 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.51 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 1.55 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.71 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 1.23 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 1.11 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 1.22 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.88 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 1.25 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HG2' HG22 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 3.4 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 1.08 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 1.08 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.514 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 1.03 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.593 ' HA ' HG22 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 1.08 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 2.43 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 1.43 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 1.09 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 1.2 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.69 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.8 pt20 . . . . . 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.38 110.938 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 1.29 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 1.32 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 1.14 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 1.12 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 1.12 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.37 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 1.52 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 1.08 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 1.13 109.686 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG13 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 1.07 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.428 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 1.43 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 1.25 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG13 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 1.19 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.64 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 1.21 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 1.31 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 3.04 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 1.58 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 2.34 109.851 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.73 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.92 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 1.23 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.94 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 38' ' ' VAL . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 1.36 116.084 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.57 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.631 ' N ' HD11 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.54 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' HG11 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.71 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 1.13 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' HA ' HD13 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 1.47 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 1.17 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 1.43 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 1.11 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 1.22 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 3.46 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.51 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.63 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 1.55 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.71 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD13 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 1.23 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.623 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 1.11 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.608 ' HA ' HG13 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 1.22 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.88 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD11 HG21 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 1.25 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 3.4 112.124 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 1.08 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 1.08 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 1.03 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.621 ' HA ' HG22 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 1.08 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 2.43 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.608 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 1.43 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 1.09 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 1.2 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.69 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.63 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 . . . . . 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.38 111.202 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 112.078 0.399 . . . . 1.29 112.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.584 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 1.32 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.851 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 1.14 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 1.12 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 1.12 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.37 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 1.52 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 1.08 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HG21 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 1.13 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 1.07 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 1.43 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 1.25 111.621 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.605 ' HB ' HG13 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 1.19 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.64 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 1.21 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 HG12 HG12 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 1.31 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 3.04 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 1.58 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 2.34 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.73 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.92 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 1.23 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.94 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 1.36 115.041 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.57 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.636 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.54 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.667 ' O ' HG22 ' A' ' 47' ' ' VAL 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.71 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 1.13 108.944 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 1.47 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 43' ' ' MET . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 1.17 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.673 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 1.43 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HG22 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 1.11 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 1.22 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.673 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 3.46 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.851 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.51 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.736 HG21 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 1.55 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.736 ' H ' HG21 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.71 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.754 HD13 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 1.23 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 1.11 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.618 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 1.22 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.88 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 72' ' ' ALA . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 1.25 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 3.4 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 1.08 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG11 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 1.08 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.419 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' HD11 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 1.08 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 2.43 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 1.43 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 1.09 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 1.2 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.69 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 . . . . . 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.38 109.355 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 1.29 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 1.32 108.711 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.591 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 1.14 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 1.12 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 1.12 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.37 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 1.52 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 1.08 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 1.13 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.711 HG11 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 1.07 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 1.43 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.884 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 1.25 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.711 ' HB ' HG11 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 1.19 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.64 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 1.21 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG13 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 1.31 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 3.04 110.346 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 1.58 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 2.34 108.186 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.532 ' HA ' HG21 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.73 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.92 110.648 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 1.23 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.884 HG11 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.94 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 1.36 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.57 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.608 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.54 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.71 109.887 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 1.13 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' HA ' HD11 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 1.47 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 44' ' ' VAL . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 1.17 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 1.43 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 1.11 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 1.22 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.535 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 3.46 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.51 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG21 HG21 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 1.55 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.71 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 1.23 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 1.11 110.906 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.606 ' HA ' HG13 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 1.22 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.88 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 1.25 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.783 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 3.4 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 1.08 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 1.08 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.414 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.671 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 1.03 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 7' ' ' ILE . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 1.08 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 2.43 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.488 ' HH ' HG21 ' A' ' 58' ' ' ILE . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 1.43 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 1.09 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 1.2 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.69 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 11.7 pt20 . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.38 111.606 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.751 0 N-CA-C 109.676 -0.49 . . . . 1.29 109.676 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 1.32 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.629 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 1.14 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 1.12 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 1.12 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.37 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 1.52 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 1.08 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.695 HG22 HG22 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 1.13 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.728 HG11 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 1.07 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 1.43 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 21' ' ' ILE . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 1.25 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.728 ' HB ' HG11 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 1.19 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.64 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.697 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 1.21 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 1.31 106.672 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 3.04 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 1.58 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 2.34 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.73 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' HA ' HD13 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.92 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.553 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 1.23 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.94 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 1.36 113.414 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.617 HD11 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.57 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.617 ' N ' HD11 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.54 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.525 ' O ' HG21 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.71 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 1.13 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 1.47 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 43' ' ' MET . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 1.17 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 1.43 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB1' HG23 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 1.11 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 1.22 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 3.46 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.51 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 1.55 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.71 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 1.23 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 1.11 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.592 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 1.22 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.88 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 HG22 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 1.25 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 3.4 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 1.08 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' CE1' ' A' ' 32' ' ' PHE . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 1.08 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 1.03 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG23 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 1.08 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 2.43 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.504 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 1.43 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 1.09 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 1.2 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.2 pt20 . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.38 110.484 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.101 -1.074 . . . . 1.29 108.101 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 1.32 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.741 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 1.14 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 1.12 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 1.12 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.37 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 1.52 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 1.08 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 1.13 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.766 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 1.07 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 1.43 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.919 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 1.25 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HG11 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 1.19 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.64 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.685 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 1.21 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 1.31 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 3.04 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HA ' HG22 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 1.58 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 2.34 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.76 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.73 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.92 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.704 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 1.23 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.919 HG12 ' HB1' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.94 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 1.36 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.57 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.55 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.54 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.52 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.71 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 1.13 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' HD11 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 1.47 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 1.17 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 1.43 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 1.11 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 1.22 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.703 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 3.46 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.741 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.51 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 1.55 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.71 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.587 HD13 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 1.23 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 1.11 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.616 ' HA ' HG11 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 1.22 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.88 111.359 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.721 HD21 ' HH ' ' A' ' 75' ' ' TYR . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 1.25 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 3.4 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 1.08 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 1.08 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 1.03 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 1.08 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 2.43 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.721 ' HH ' HD21 ' A' ' 65' ' ' ASN . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 1.43 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 1.09 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 1.2 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.69 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.1 pt20 . . . . . 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.38 110.276 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.904 -0.406 . . . . 1.29 109.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 1.32 108.311 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 1.14 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 1.12 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 1.12 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.37 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 1.52 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 1.08 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.414 HG21 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 1.13 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 1.07 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 1.43 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 1.25 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.572 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 1.19 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.64 114.081 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 1.21 114.434 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.761 ' HA ' ' HZ3' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG12 HG13 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 1.31 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.761 ' HZ3' ' HA ' ' A' ' 25' ' ' ASP . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 3.04 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 1.58 113.766 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 2.34 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.73 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.92 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 1.23 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.94 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 1.36 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.57 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.54 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.71 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' O ' HG21 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 1.13 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 1.47 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 1.17 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 44' ' ' VAL . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 1.43 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 1.11 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 1.22 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 3.46 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.588 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.51 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 1.55 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.706 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.71 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 1.23 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 1.11 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 1.22 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.88 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 1.25 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 3.4 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 1.08 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.716 HG13 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 1.08 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 1.03 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG22 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 1.08 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 2.43 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 1.43 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.665 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 1.09 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 1.2 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.69 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.38 112.213 -175.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 107.735 -1.209 . . . . 1.29 107.735 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 1.32 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.6 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 1.14 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 1.12 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 1.12 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.37 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 1.52 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 1.08 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 1.13 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG13 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 1.07 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 1.43 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.817 ' HB1' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 1.25 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 1.19 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.64 113.047 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.76 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 1.21 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.668 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 1.31 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 3.04 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 1.58 115.574 -171.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.653 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 2.34 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.73 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.484 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.92 113.444 -173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.653 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 1.23 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.817 HG13 ' HB1' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.94 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 1.36 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.57 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.639 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.54 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.475 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.71 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 1.13 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 1.47 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 1.17 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 1.43 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 1.11 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 1.22 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 3.46 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.51 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 1.55 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.758 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.71 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 1.23 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 1.11 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 1.22 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.88 112.778 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 1.25 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 3.4 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.674 HG21 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 1.08 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 1.08 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 1.03 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 1.08 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 2.43 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.607 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 1.43 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 1.09 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 1.2 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.69 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 3.5 pt20 . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.38 113.06 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 109.691 -0.485 . . . . 2.23 109.691 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -159.3 177.95 10.47 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.41 -0.589 . . . . 1.29 109.41 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.469 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 1.32 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.439 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 1.14 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 1.12 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 1.12 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.37 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 1.52 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 1.08 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 1.13 110.238 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG13 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 1.07 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 HG23 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 1.43 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 1.25 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HG13 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 1.19 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.64 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 1.21 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG12 HG13 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 1.31 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 3.04 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 1.58 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 2.34 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.736 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.73 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.92 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 1.23 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.94 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 1.36 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.57 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.54 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.71 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 1.13 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 1.47 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.593 HG22 ' H6A' ' A' ' 101' ' ' SOO . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 1.17 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 1.43 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 1.11 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 1.22 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.707 ' HA ' HG11 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 3.46 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.51 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 1.55 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.71 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.6 HD13 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 1.23 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 1.11 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG13 ' O40' ' A' ' 101' ' ' SOO . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 1.22 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HA ' ' C42' ' A' ' 101' ' ' SOO . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.88 115.308 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 1.25 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 3.4 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.736 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 1.08 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.662 HG13 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 1.08 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.753 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 1.03 112.42 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 1.08 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.753 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 2.43 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 1.43 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 HD13 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 1.09 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 1.2 111.772 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.69 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.6 pt20 -108.05 172.68 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.38 110.656 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 N-CA-C 108.895 -0.78 . . . . 2.94 108.895 176.456 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.593 ' H6A' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 109.356 -0.609 . . . . 2.23 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.4 138.46 3.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.708 -0.849 . . . . 1.29 108.708 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 1.32 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.751 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 1.14 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 1.12 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 1.12 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.37 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 1.52 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 1.08 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 1.13 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 1.07 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.78 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 1.43 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 1.25 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 1.19 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.64 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.563 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 1.21 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 1.31 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 3.04 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 1.58 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 2.34 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.73 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.92 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 1.23 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG13 HG23 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.94 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 1.36 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.57 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.564 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.54 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.569 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.71 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 1.13 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 1.47 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 1.17 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 1.43 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 1.11 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 1.22 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 3.46 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.751 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.51 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 1.55 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' H ' HG21 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.71 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 1.23 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 1.11 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG13 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.559 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 1.22 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.88 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 1.25 111.106 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 3.4 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 1.08 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 1.03 112.795 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.726 ' HA ' HG22 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 1.08 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 2.43 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.559 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 1.43 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.59 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 1.09 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 1.2 109.066 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.69 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 -63.4 139.88 58.82 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.38 109.564 173.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.409 0 N-CA-C 107.358 -1.349 . . . . 2.94 107.358 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.569 ' C2 ' ' HG3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.708 -0.478 . . . . 2.23 109.708 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.21 -179.64 5.98 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.909 -0.775 . . . . 1.29 108.909 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 1.32 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 1.14 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 1.12 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 1.12 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.37 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 11' ' ' LEU . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 1.52 112.034 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 1.08 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 1.13 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.672 HG13 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 1.07 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 1.43 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 1.25 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.672 ' HB ' HG13 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 1.19 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.64 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.651 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 1.21 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG23 HD23 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 1.31 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 3.04 111.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD21 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 1.58 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 2.34 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.73 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.92 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 1.23 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.94 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 1.36 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.57 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.54 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.744 ' HE1' H43A ' A' ' 101' ' ' SOO . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.71 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 1.13 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 1.47 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.63 HG21 ' H6 ' ' A' ' 101' ' ' SOO . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 1.17 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 1.43 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 1.11 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 1.22 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 3.46 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.659 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.51 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.777 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 1.55 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.644 ' H ' HG21 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.71 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 1.23 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 1.11 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 1.22 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.88 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD13 HG21 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 1.25 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 3.4 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 1.08 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 1.08 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.429 ' HA2' HD21 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 1.03 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.593 ' HA ' HG23 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 1.08 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 2.43 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 1.43 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 1.09 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 1.2 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.69 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.777 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.3 pt20 -114.0 175.92 5.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.38 110.997 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.614 0 N-CA-C 106.749 -1.574 . . . . 2.94 106.749 175.223 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.744 H43A ' HE1' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 109.579 -0.526 . . . . 2.23 109.579 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 6' ' ' GLU . . . -168.75 142.18 2.97 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 1.29 108.219 -176.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 1.32 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 1.14 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 1.12 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 1.12 112.004 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.37 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD23 ' H7 ' ' A' ' 101' ' ' SOO . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 1.52 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.727 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 1.08 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 1.13 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 1.07 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 1.43 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 1.25 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.664 ' HB ' HG11 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 1.19 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.64 113.875 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.727 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 1.21 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG11 HG12 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 1.31 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 3.04 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD23 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 1.58 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.951 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 2.34 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.763 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.73 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.92 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 1.23 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG13 HG23 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.94 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.662 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.68 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 1.36 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.692 ' HA ' H38A ' A' ' 101' ' ' SOO . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.57 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.662 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.54 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.754 ' HE3' H43A ' A' ' 101' ' ' SOO . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.71 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 1.13 109.846 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 1.47 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG23 ' H6A' ' A' ' 101' ' ' SOO . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 1.17 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 1.43 111.609 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 1.11 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 1.22 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 3.46 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.51 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.971 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 1.55 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.71 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.94 HG22 ' HH ' ' A' ' 75' ' ' TYR . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 1.23 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 1.11 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG11 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.467 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 1.22 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.88 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 1.25 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 3.4 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.763 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 1.08 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.617 HG12 HG11 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 1.08 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' HA2' HD23 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 1.03 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.57 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 1.08 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 2.43 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.94 ' HH ' HG22 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 1.43 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.971 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 1.09 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 1.2 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.69 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.787 ' HB3' HG13 ' A' ' 56' ' ' VAL . 3.1 pt20 -105.27 150.33 25.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.38 113.376 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.324 0 N-CA-C 105.4 -2.074 . . . . 2.94 105.4 175.137 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.754 H43A ' HE3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 109.363 -0.606 . . . . 2.23 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.91 133.1 2.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 1.29 108.481 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 1.32 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.759 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 1.14 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 1.12 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 1.12 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.37 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 1.52 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 1.08 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 1.13 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.705 HG13 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 1.07 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 1.43 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 1.25 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.705 ' HB ' HG13 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 1.19 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.64 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.607 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 1.21 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.705 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 1.31 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 3.04 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 1.58 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 2.34 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.749 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.73 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.92 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.578 ' HB3' ' CB ' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 1.23 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.94 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' H37A ' A' ' 101' ' ' SOO 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 1.36 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.57 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.549 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.54 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.453 ' O ' HG22 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.71 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 1.13 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 1.47 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 1.17 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 1.43 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 1.11 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 1.22 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 3.46 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.51 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 1.55 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.675 ' H ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.71 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 1.23 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 1.11 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.565 HG13 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 1.22 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.88 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 1.25 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 3.4 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 1.08 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 1.08 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 1.03 112.893 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.531 ' HA ' HG23 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 1.08 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 2.43 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 1.43 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 1.09 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 1.2 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.69 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.0 pt20 -112.38 144.1 42.38 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.38 107.61 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 108.768 -0.827 . . . . 2.94 108.768 176.553 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.492 H37A ' O ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.413 -1.328 . . . . 2.23 107.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.85 164.9 36.09 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 120.414 -0.514 . . . . 1.29 110.043 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.58 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 1.32 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 1.14 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 1.12 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 1.12 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.37 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 1.52 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 1.08 112.976 -177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HA ' HG11 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HA ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 1.13 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 1.07 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 1.43 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 1.25 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.691 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 1.19 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.637 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.64 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 13' ' ' GLU . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 1.21 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.724 HG13 HG12 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 1.31 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 3.04 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.577 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 1.58 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.809 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 2.34 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.73 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.754 HG22 ' S1 ' ' A' ' 101' ' ' SOO . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.92 112.996 -177.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD11 HG12 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 1.23 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG11 HG11 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.94 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 1.36 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.57 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.603 ' N ' HD11 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.54 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.508 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.71 112.718 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 1.13 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG13 HG23 ' A' ' 14' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 1.47 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 1.17 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.538 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 1.43 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 1.11 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 1.22 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 3.46 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.51 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 1.55 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.665 ' H ' HG23 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.71 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 1.23 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 1.11 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 1.22 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.88 112.841 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 1.25 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 3.4 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 1.08 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG12 HG13 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 1.08 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.556 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 1.03 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.431 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 1.08 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.556 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 2.43 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 1.43 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 HG12 HD13 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 1.09 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 1.2 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.69 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' CA ' HG22 ' A' ' 56' ' ' VAL . 3.6 pt20 -96.52 125.7 41.19 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.38 112.595 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.176 -1.416 . . . . 2.94 107.176 176.652 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.754 ' S1 ' HG22 ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 N-CA-C 109.829 -0.434 . . . . 2.23 109.829 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -152.45 -169.92 3.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.556 -0.905 . . . . 1.29 108.556 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 1.32 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 1.14 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 1.12 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 1.12 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.37 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 11' ' ' LEU . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 1.52 113.121 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 1.08 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 1.13 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.658 HG11 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 1.07 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.517 HG13 HG21 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 1.43 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 1.25 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.658 ' HB ' HG11 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 1.19 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.64 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.738 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 1.21 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.594 ' HA ' ' HZ3' ' A' ' 27' ' ' LYS . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.734 HG21 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 1.31 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' HZ3' ' HA ' ' A' ' 25' ' ' ASP . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 3.04 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.697 ' HA ' HG22 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 1.58 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 2.34 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.73 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' HA ' HD13 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.92 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.686 HD13 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 1.23 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.94 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.836 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 1.36 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.57 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.836 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.54 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.71 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' HG21 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 1.13 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG21 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 1.47 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 1.17 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 1.43 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 1.11 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 1.22 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HA ' HG11 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 3.46 112.475 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.734 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.51 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.689 HG11 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 1.55 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.605 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.71 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 1.23 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 1.11 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 1.22 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HA ' H42A ' A' ' 101' ' ' SOO . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.88 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 1.25 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 3.4 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 1.08 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.734 HG11 HG21 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 1.08 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 1.03 112.959 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.416 ' HA ' HG22 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 1.08 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 2.43 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 1.43 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.463 HG22 HE21 ' A' ' 80' ' ' GLN . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 1.09 109.52 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 1.2 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.69 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.463 HE21 HG22 ' A' ' 76' ' ' ILE . 54.5 mt-30 -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.38 113.29 -177.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.236 0 N-CA-C 105.843 -1.91 . . . . 2.94 105.843 174.443 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.515 ' H4A' ' CG ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 108.644 -0.873 . . . . 2.23 108.644 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.69 -179.13 3.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.853 -0.425 . . . . 1.29 109.853 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 1.32 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 1.14 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 1.12 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 1.12 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.37 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.658 HD23 ' H8 ' ' A' ' 101' ' ' SOO . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 1.52 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 1.08 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 1.13 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.618 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 1.07 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 1.43 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 1.25 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.618 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 1.19 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.64 114.227 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 1.21 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.624 HG12 HG13 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 1.31 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 3.04 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 1.58 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 2.34 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.73 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.92 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 1.23 111.949 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.703 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.94 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 38' ' ' VAL . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 1.36 117.515 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.57 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.613 ' N ' HD13 ' A' ' 41' ' ' LEU . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.54 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.703 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.71 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 1.13 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.412 HG23 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 1.47 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 1.17 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 1.43 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 1.11 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 1.22 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.727 ' HA ' HG11 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 3.46 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.51 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.727 HG11 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 1.55 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' H ' HG23 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.71 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.411 HD12 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 1.23 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 1.11 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.582 ' HA ' HG13 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG13 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 1.22 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.88 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD11 ' H5 ' ' A' ' 101' ' ' SOO . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 1.25 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 3.4 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.647 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 1.08 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG13 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 1.08 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 1.03 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 1.08 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 2.43 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 1.43 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' HB ' HD11 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 1.09 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 1.2 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.69 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -87.94 150.76 23.27 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.38 108.907 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.711 1.257 . . . . 2.94 109.48 -172.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.658 ' H8 ' HD23 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.882 0.372 . . . . 2.23 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -160.25 150.63 18.43 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.855 -1.165 . . . . 1.29 107.855 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 1.32 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.793 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 1.14 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 1.12 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 1.12 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.37 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 1.52 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 1.08 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 17' ' ' GLU . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 1.13 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.68 HG13 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 1.07 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 1.43 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 1.25 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.68 ' HB ' HG13 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 1.19 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.64 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 1.21 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 1.31 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 3.04 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' HA ' HG21 ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 1.58 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 2.34 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.774 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.73 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.92 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 1.23 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.94 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 1.36 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.57 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.611 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.54 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.881 ' HE1' H43A ' A' ' 101' ' ' SOO . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.71 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 1.13 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' HA ' HD13 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 1.47 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.74 HG22 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 1.17 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 1.43 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 1.11 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 1.22 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 3.46 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.793 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.51 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 HG22 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 1.55 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.71 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 1.23 108.239 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ILE . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 1.11 112.151 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 1.22 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.88 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 1.25 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.493 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 3.4 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.774 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 1.08 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 1.08 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.51 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 1.03 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 1.08 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 2.43 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 1.43 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.59 HG22 HG12 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 1.09 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 1.2 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.69 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 3.9 pt20 -90.17 157.84 17.53 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.38 111.151 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 N-CA-C 105.604 -1.999 . . . . 2.94 105.604 170.144 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.881 H43A ' HE1' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.239 -1.023 . . . . 2.23 108.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.76 143.15 6.67 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 1.29 110.236 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 1.32 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 1.14 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 1.12 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 1.12 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.37 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 1.52 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 1.08 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 HG11 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 1.13 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.608 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 1.07 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 1.43 111.672 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 1.25 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 1.19 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.64 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 1.21 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' HB ' ' HB1' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 1.31 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 3.04 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 1.58 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 2.34 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.733 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.73 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.616 ' HA ' HD13 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.92 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.736 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 1.23 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.94 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.773 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' HG21 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 1.36 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD11 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.57 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.773 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.54 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.787 ' HE2' H43A ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.71 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 1.13 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG11 HG21 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 1.47 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 1.17 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 1.43 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 1.11 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 1.22 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HA ' HG13 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 3.46 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.51 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.685 HG13 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 1.55 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.71 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.534 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 1.23 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 1.11 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 1.22 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HD2' ' H38' ' A' ' 101' ' ' SOO . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.88 113.29 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 1.25 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 3.4 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.733 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 1.08 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 1.08 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 1.03 112.561 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.592 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 1.08 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 2.43 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 1.43 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 1.09 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 1.2 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.69 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.99 83.63 7.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.38 112.06 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.146 0 CA-C-N 114.025 -1.443 . . . . 2.94 107.153 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.787 H43A ' HE2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.909 -0.404 . . . . 2.23 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -149.55 177.21 9.94 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.067 -1.457 . . . . 1.29 107.067 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 1.32 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.545 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 1.14 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 1.12 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 1.12 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.37 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 1.52 111.223 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 1.08 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 1.13 109.719 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.687 HG13 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 1.07 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 1.43 110.743 -177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.812 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 1.25 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG13 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 1.19 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 24' ' ' GLU . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.64 114.951 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.752 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 1.21 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 22' ' ' PRO . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 1.31 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HZ2' ' A' ' 27' ' ' LYS . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 3.04 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 1.58 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 2.34 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.73 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.583 ' HA ' HD11 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.92 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 1.23 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.812 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.94 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 1.36 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.57 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.585 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.54 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.601 ' SD ' H37A ' A' ' 101' ' ' SOO . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.71 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 1.13 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' HG12 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 1.47 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.835 HG21 ' H6 ' ' A' ' 101' ' ' SOO . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 1.17 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 1.43 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 1.11 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 1.22 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.69 ' HA ' HG13 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 3.46 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.51 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 1.55 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' H ' HG21 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.71 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 1.23 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 1.11 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 1.22 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.88 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.743 HD21 ' HH ' ' A' ' 75' ' ' TYR . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 1.25 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 3.4 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.507 HG21 ' HG2' ' A' ' 67' ' ' LYS . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 1.08 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG12 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 1.08 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 1.03 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 1.08 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 2.43 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.743 ' HH ' HD21 ' A' ' 65' ' ' ASN . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 1.43 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 1.09 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 1.2 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.69 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -100.83 170.81 8.07 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.38 110.441 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 N-CA-C 109.323 -0.621 . . . . 2.94 109.323 179.581 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.835 ' H6 ' HG21 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 N-CA-C 109.984 -0.376 . . . . 2.23 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.79 177.02 9.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.617 -1.253 . . . . 1.29 107.617 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 1.32 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 1.14 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 1.12 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 1.12 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.37 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 1.52 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 1.08 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 HG23 HG11 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 1.13 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 1.07 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 1.43 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 1.25 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.664 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 1.19 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.64 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.566 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 1.21 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 1.31 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 3.04 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.733 ' HA ' HG21 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 1.58 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 2.34 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.73 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.92 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 1.23 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.63 HG12 HG22 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.94 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.606 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' HB2' H28A ' A' ' 101' ' ' SOO 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 1.36 116.011 178.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.57 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.618 ' N ' HD12 ' A' ' 41' ' ' LEU . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.54 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.682 ' HE2' H43A ' A' ' 101' ' ' SOO . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.71 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' O ' HG21 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 1.13 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG22 HG12 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 1.47 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.781 HG21 HG23 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 1.17 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 1.43 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 1.11 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 1.22 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG11 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 3.46 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.51 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG11 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 1.55 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.617 ' H ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.71 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.61 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 1.23 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 1.11 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.781 HG23 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 1.22 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.88 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 1.25 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 3.4 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 1.08 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 1.08 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 1.03 112.665 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.512 ' HA ' HG23 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 1.08 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 2.43 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 1.43 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 1.09 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 1.2 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.69 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.8 pt20 -109.51 170.43 8.06 Favored 'General case' 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.38 111.382 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.179 -1.415 . . . . 2.94 107.179 175.406 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.682 H43A ' HE2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.237 0.432 0 N-CA-C 109.208 -0.664 . . . . 2.23 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.78 -178.97 5.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.087 -0.709 . . . . 1.29 109.087 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 1.32 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 1.14 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 1.12 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 1.12 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.37 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 1.52 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 1.08 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 1.13 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 1.07 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 1.43 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 1.25 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.589 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 1.19 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.64 113.882 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 1.21 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.661 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.655 HG13 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 1.31 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 3.04 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.716 ' HA ' HG23 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 1.58 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 2.34 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.73 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.92 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 1.23 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' C ' ' H ' ' A' ' 40' ' ' SER . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.94 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 1.36 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.57 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.57 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.54 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.804 ' HE3' H43A ' A' ' 101' ' ' SOO . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.71 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 1.13 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 1.47 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 1.17 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 1.43 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 1.11 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 1.22 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 3.46 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.734 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.51 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 1.55 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.71 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 1.23 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 1.11 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 1.22 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.88 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 1.25 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HG2' HG22 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 3.4 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.648 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 1.08 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.716 HG23 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 1.08 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.514 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 1.03 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.593 ' HA ' HG22 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 1.08 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 2.43 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 1.43 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 1.09 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 1.2 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.69 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.8 pt20 -95.97 163.21 13.24 Favored 'General case' 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.38 110.938 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 C-N-CA 124.959 1.303 . . . . 2.94 111.448 -178.561 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.804 H43A ' HE3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 109.925 -0.398 . . . . 2.23 109.925 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -165.89 144.99 6.12 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 1.29 108.312 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 1.32 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 1.14 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 1.12 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 1.12 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.37 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 1.52 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 1.08 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 1.13 109.686 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG13 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 1.07 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.428 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 1.43 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 1.25 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG13 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 1.19 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.64 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 1.21 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 1.31 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 3.04 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 1.58 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 2.34 109.851 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.73 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.92 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 1.23 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG11 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.94 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 38' ' ' VAL . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 1.36 116.084 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.57 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.631 ' N ' HD11 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.54 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' HG11 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.71 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 1.13 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' HA ' HD13 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 1.47 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 1.17 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 1.43 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 1.11 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 1.22 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 3.46 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.51 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.63 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 1.55 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.795 ' HE2' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.71 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD13 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 1.23 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.623 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 1.11 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.608 ' HA ' HG13 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 1.22 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.88 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD11 HG21 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 1.25 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 3.4 112.124 -177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 1.08 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 1.08 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 1.03 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.621 ' HA ' HG22 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 1.08 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 2.43 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.608 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 1.43 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 1.09 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 1.2 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.69 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.63 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -97.45 170.31 9.14 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.38 111.202 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.795 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . . . . . . . . 0 N--CA 1.424 -1.763 0 N-CA-C 107.14 -1.43 . . . . 2.94 107.14 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.488 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.566 -0.531 . . . . 2.23 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.43 178.24 4.61 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.274 -0.421 . . . . 1.29 112.078 -174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.584 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 1.32 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.851 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 1.14 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 1.12 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 1.12 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.37 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 1.52 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 1.08 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HG21 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 1.13 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 1.07 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 1.43 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 1.25 111.621 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.605 ' HB ' HG13 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 1.19 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HB2' ' CB ' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.64 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 1.21 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 HG12 HG12 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 1.31 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 3.04 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 1.58 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 2.34 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.73 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.92 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 1.23 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.94 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 1.36 115.041 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.57 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.636 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.54 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.707 ' SD ' H37A ' A' ' 101' ' ' SOO 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.71 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 1.13 108.944 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.704 HG21 HG21 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 1.47 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.84 HG23 ' H6 ' ' A' ' 101' ' ' SOO . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 1.17 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.673 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 1.43 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.636 ' HB1' HG22 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 1.11 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 1.22 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.673 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 3.46 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.851 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.51 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.736 HG21 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 1.55 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.736 ' H ' HG21 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.71 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.754 HD13 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 1.23 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 1.11 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.618 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 1.22 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.88 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 72' ' ' ALA . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 1.25 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 3.4 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 1.08 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG11 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 1.08 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.419 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 1.03 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.515 ' HA ' HD11 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 1.08 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 2.43 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 1.43 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.754 HG12 HD13 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 1.09 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 1.2 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.69 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 -73.12 178.39 4.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.38 109.355 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.681 0 C-N-CA 123.851 0.861 . . . . 2.94 110.404 179.02 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.84 ' H6 ' HG23 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.696 -0.853 . . . . 2.23 108.696 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.4 -175.34 4.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 1.29 109.387 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 1.32 108.711 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.591 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 1.14 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 1.12 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 1.12 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.37 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD21 ' H8B' ' A' ' 101' ' ' SOO . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 1.52 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 1.08 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 1.13 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.711 HG11 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 1.07 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 1.43 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.884 ' HB2' HG11 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 1.25 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.711 ' HB ' HG11 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 1.19 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.64 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 1.21 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG13 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 1.31 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 3.04 110.346 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 1.58 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 2.34 108.186 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.532 ' HA ' HG21 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.73 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.48 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' S1 ' ' A' ' 101' ' ' SOO . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.92 110.648 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 1.23 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.884 HG11 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.94 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 1.36 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.57 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.608 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.54 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.835 ' HE1' H43A ' A' ' 101' ' ' SOO . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.71 109.887 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 1.13 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' HA ' HD11 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 1.47 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 ' H7A' ' A' ' 101' ' ' SOO . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 1.17 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 1.43 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 1.11 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 1.22 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.535 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 3.46 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.51 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG21 HG21 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 1.55 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.71 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 1.23 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 1.11 110.906 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.606 ' HA ' HG13 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.606 HG13 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 1.22 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.88 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 1.25 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.783 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 3.4 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 1.08 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 1.08 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.414 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.671 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 1.03 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 7' ' ' ILE . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 1.08 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 2.43 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.488 ' HH ' HG21 ' A' ' 58' ' ' ILE . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 1.43 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 1.09 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 1.2 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.69 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 11.7 pt20 -124.41 172.96 8.74 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.38 111.606 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.207 -1.405 . . . . 2.94 107.207 176.685 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.835 H43A ' HE1' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.851 -0.796 . . . . 2.23 108.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.4 123.08 27.73 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.676 -0.49 . . . . 1.29 109.676 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 1.32 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.629 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 1.14 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 1.12 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 1.12 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.37 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 1.52 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 1.08 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.695 HG22 HG22 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 1.13 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.728 HG11 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 1.07 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 1.43 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 21' ' ' ILE . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 1.25 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.728 ' HB ' HG11 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 1.19 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.64 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.697 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 1.21 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 1.31 106.672 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 3.04 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 1.58 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 2.34 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.73 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' HA ' HD13 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.92 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.553 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 1.23 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.94 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' O ' H37A ' A' ' 101' ' ' SOO 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 1.36 113.414 -179.198 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.617 HD11 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.57 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.617 ' N ' HD11 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.54 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.917 ' HE3' H43A ' A' ' 101' ' ' SOO . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.71 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 1.13 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 1.47 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.591 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 1.17 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 1.43 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.605 ' HB1' HG23 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 1.11 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 1.22 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 3.46 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.51 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 1.55 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.448 ' HZ3' ' C ' ' A' ' 81' ' ' ALA . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.71 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 1.23 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 1.11 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.592 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 1.22 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.88 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 HG22 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 1.25 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 3.4 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 1.08 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG12 ' CE1' ' A' ' 32' ' ' PHE . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 1.08 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 1.03 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG23 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 1.08 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 2.43 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.504 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 1.43 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG12 HD12 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 1.09 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 1.2 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.2 pt20 -88.64 109.86 20.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.38 110.484 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' C ' ' HZ3' ' A' ' 57' ' ' LYS . . . . . . . . 0 N--CA 1.423 -1.8 0 CA-C-N 115.308 -0.86 . . . . 2.94 108.771 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.917 H43A ' HE3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.395 -0.595 . . . . 2.23 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.65 136.49 3.74 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.101 -1.074 . . . . 1.29 108.101 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 1.32 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.741 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 1.14 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 1.12 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 1.12 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.37 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 1.52 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.685 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 1.08 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG21 HG12 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 1.13 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.766 HG11 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 1.07 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 1.43 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.919 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 1.25 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HG11 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 1.19 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.64 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.685 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 1.21 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.693 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 1.31 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 3.04 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 ' HA ' HG22 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 1.58 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 2.34 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.76 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.73 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.92 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.704 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 1.23 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.919 HG12 ' HB1' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.94 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 1.36 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.57 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.55 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.54 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.541 ' HE2' H43A ' A' ' 101' ' ' SOO . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.71 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 1.13 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' HD11 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 1.47 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.715 HG23 ' H6 ' ' A' ' 101' ' ' SOO . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 1.17 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 1.43 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 1.11 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 1.22 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.703 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 3.46 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.741 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.51 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 1.55 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.71 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.587 HD13 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 1.23 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 1.11 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.616 ' HA ' HG11 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 1.22 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HA ' H42A ' A' ' 101' ' ' SOO . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.88 111.359 177.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.721 HD21 ' HH ' ' A' ' 75' ' ' TYR . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 1.25 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 3.4 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.76 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 1.08 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 1.08 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 1.03 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 1.08 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 2.43 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.721 ' HH ' HD21 ' A' ' 65' ' ' ASN . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 1.43 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.587 HG12 HD13 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 1.09 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 1.2 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.69 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.1 pt20 -96.91 161.03 14.03 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.38 110.276 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.165 0 N-CA-C 107.221 -1.4 . . . . 2.94 107.221 173.559 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.715 ' H6 ' HG23 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.496 -0.927 . . . . 2.23 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.51 173.97 6.9 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.904 -0.406 . . . . 1.29 109.904 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 1.32 108.311 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.594 HG22 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 1.14 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 1.12 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 1.12 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.37 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 1.52 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 1.08 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.414 HG21 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 1.13 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 1.07 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 1.43 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 1.25 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.572 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 1.19 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.64 114.081 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 1.21 114.434 -173.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.761 ' HA ' ' HZ3' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG12 HG13 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 1.31 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.761 ' HZ3' ' HA ' ' A' ' 25' ' ' ASP . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 3.04 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 1.58 113.766 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 2.34 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.579 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.73 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.92 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD23 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 1.23 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.94 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HB2' ' H43' ' A' ' 101' ' ' SOO . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 1.36 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.57 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.54 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.71 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' O ' HG21 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 1.13 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 1.47 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 1.17 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 44' ' ' VAL . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 1.43 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 1.11 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 1.22 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 3.46 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.51 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.706 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 1.55 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.706 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.71 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 1.23 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 1.11 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.608 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 1.22 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.88 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 1.25 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 3.4 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 1.08 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.716 HG13 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 1.08 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 1.03 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG22 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 1.08 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 2.43 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 1.43 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.665 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 1.09 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 1.2 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.69 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.49 -169.84 1.11 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.38 112.213 -175.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.172 1.389 . . . . 2.94 110.549 -177.004 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.534 H43A ' HE2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.879 0 N-CA-C 109.573 -0.529 . . . . 2.23 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 171.22 8.52 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.735 -1.209 . . . . 1.29 107.735 175.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 1.32 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.6 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 1.14 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 1.12 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 1.12 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.37 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 1.52 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.76 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 1.08 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG23 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 1.13 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG13 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 1.07 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 1.43 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.817 ' HB1' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 1.25 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 1.19 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.64 113.047 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.76 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 1.21 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.668 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 1.31 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 3.04 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 1.58 115.574 -171.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.653 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 2.34 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.73 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' H6 ' ' A' ' 101' ' ' SOO . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.92 113.444 -173.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.653 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 1.23 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.817 HG13 ' HB1' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.94 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 1.36 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.57 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.639 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.54 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.493 ' HE1' H43A ' A' ' 101' ' ' SOO . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.71 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 1.13 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.5 ' HA ' HD11 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 1.47 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 1.17 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 1.43 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 1.11 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 1.22 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 3.46 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.51 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 1.55 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.758 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.71 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 1.23 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 1.11 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.625 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 1.22 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' O40' ' A' ' 101' ' ' SOO . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.88 112.778 -176.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 1.25 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 3.4 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.674 HG21 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 1.08 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 1.08 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 1.03 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 1.08 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 2.43 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.607 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 1.43 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 1.09 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 1.2 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.69 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 3.5 pt20 -84.53 -179.82 7.23 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.38 113.06 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.726 0 O-C-N 125.537 1.773 . . . . 2.94 109.218 -175.602 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SOO . . . . . 0.587 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.41 -0.589 . . . . 0.98 109.41 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 0.65 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 73' ' ' THR . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 0.31 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 0.38 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 0.43 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.32 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 0.81 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 0.31 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 0.42 110.238 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 0.26 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 0.75 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 0.92 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.732 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 0.53 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.44 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 0.64 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 0.63 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 2.58 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 0.84 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 1.92 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.773 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.23 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.55 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 0.89 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.42 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 0.97 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.04 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.07 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.39 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 0.49 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 0.42 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 0.76 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 0.34 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 0.43 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.752 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 2.92 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.49 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 0.91 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.32 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 0.55 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 0.72 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 66' ' ' LEU . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 0.57 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.42 115.308 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD12 HG23 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 0.57 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 2.91 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 0.35 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG11 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 0.34 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 0.25 112.42 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 0.29 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 1.92 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 0.94 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 0.36 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 73' ' ' THR . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 0.48 111.772 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 13.9 pt20 . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.19 110.656 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 108.708 -0.849 . . . . 0.98 108.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 0.65 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.758 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 0.31 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 0.38 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 0.43 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.32 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 0.81 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 0.31 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 0.42 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 0.26 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.794 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 0.75 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 0.92 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.624 HG21 HD22 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 0.53 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.634 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.44 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 0.64 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.634 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.562 HG12 HG11 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 0.63 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 2.58 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 0.84 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 1.92 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.23 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.55 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 0.89 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.42 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 0.97 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.04 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.07 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.39 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 0.49 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.794 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 0.81 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 0.42 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 0.76 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 0.34 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 0.43 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 2.92 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.49 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 0.91 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.32 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.606 HD11 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 0.55 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 0.72 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 0.57 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.42 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 75' ' ' TYR . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 0.57 111.106 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 2.91 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 0.35 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 0.34 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 0.25 112.795 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.742 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 0.29 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 1.92 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 0.94 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.606 HG12 HD11 ' A' ' 58' ' ' ILE . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 0.36 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 74' ' ' LYS . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 0.48 109.066 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.29 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.19 109.564 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.605 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.434 -1.237 0 N-CA-C 108.909 -0.775 . . . . 0.98 108.909 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 0.65 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 0.31 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 0.38 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 0.43 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.32 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 0.81 112.034 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 0.31 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 0.42 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 0.26 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 0.75 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 0.92 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 0.53 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.44 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.723 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 0.64 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 0.63 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 69' ' ' VAL . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 2.58 111.142 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 0.84 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 1.92 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.23 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.567 ' H ' HG23 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.55 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 HG22 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 0.89 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.42 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 0.97 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.04 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.616 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.07 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.532 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.39 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 0.49 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 0.81 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 0.42 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 0.76 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 0.34 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 0.43 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 2.92 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.49 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 0.91 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.632 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.32 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.811 HD11 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 0.55 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 0.72 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 0.57 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.42 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 0.57 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 0.35 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.585 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 0.34 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 0.25 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 0.29 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 1.92 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 0.94 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 0.36 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 0.48 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.29 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' VAL . 13.6 pt20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.19 110.997 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 0.98 108.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 0.65 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 0.31 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 0.38 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 0.43 112.004 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.32 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 0.81 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 0.31 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.42 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 0.26 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 0.75 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 0.53 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.44 113.875 -177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.769 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 0.64 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG12 HG11 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 0.63 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 2.58 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 0.84 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.944 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 1.92 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.23 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.55 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.42 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.689 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.686 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 0.97 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 42' ' ' SER . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.04 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.689 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.07 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.39 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 0.49 109.846 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 0.81 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 HG11 ' A' ' 63' ' ' VAL . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 0.42 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' VAL . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 0.76 111.609 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 0.34 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 0.43 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 2.92 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.49 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.989 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 0.91 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.32 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 HG12 ' A' ' 76' ' ' ILE . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 0.55 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 0.72 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 0.57 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.42 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 0.57 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 2.91 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 0.35 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG11 HG12 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 0.34 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.561 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 0.25 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.582 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 0.29 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 1.92 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 0.94 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.989 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 0.36 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 0.48 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.29 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.817 ' HB3' HG12 ' A' ' 56' ' ' VAL . 14.1 pt20 . . . . . 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.19 113.376 -177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 0.98 108.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 0.65 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.766 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 0.31 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 0.38 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 0.43 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.32 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 0.81 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 0.31 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 0.42 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 0.26 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 0.75 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 0.92 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 0.53 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.44 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 0.64 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.785 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 0.63 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 2.58 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 0.84 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 1.92 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.788 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.23 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.55 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 0.89 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.42 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 0.97 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.04 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.07 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.39 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 0.49 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 0.81 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 0.42 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 0.76 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 0.34 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 0.43 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 2.92 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.49 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 0.91 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.32 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.518 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 0.55 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 0.72 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.529 ' HA ' HG12 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HB3' HG22 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 0.57 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.42 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 0.57 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 2.91 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 0.35 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 0.34 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 0.25 112.893 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.534 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 0.29 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 1.92 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 0.94 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 0.36 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 0.48 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.29 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HB3' HG23 ' A' ' 56' ' ' VAL . 12.1 pt20 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.19 107.61 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.404 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 110.043 -0.355 . . . . 0.98 110.043 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 0.65 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.625 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 0.31 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 0.38 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 0.43 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.32 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 0.81 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 0.31 112.976 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 46' ' ' VAL . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 0.42 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 0.26 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 0.75 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 0.92 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 0.53 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.723 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.44 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 0.64 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 0.63 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 2.58 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 0.84 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 1.92 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.23 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.55 112.996 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 HG13 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 0.89 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG13 HG13 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.42 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 0.97 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.04 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.596 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.07 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.39 112.718 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 0.49 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 18' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 0.81 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 0.42 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 0.76 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 0.34 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 0.43 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 2.92 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.49 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.654 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 0.91 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.654 ' H ' HG22 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.32 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 0.55 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 0.72 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 0.57 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.42 112.841 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 0.57 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 2.91 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 0.35 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 0.34 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 0.25 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 0.29 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 1.92 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 0.94 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 0.36 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.48 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.29 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' CA ' HG23 ' A' ' 56' ' ' VAL . 14.0 pt20 . . . . . 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.19 112.595 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.556 -0.905 . . . . 0.98 108.556 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 0.65 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.738 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 0.31 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 0.38 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 0.43 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.32 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 0.81 113.121 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 0.31 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 0.42 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 0.26 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.533 HG13 HG22 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 0.75 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 0.92 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.682 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 0.53 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.44 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.75 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 0.64 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.75 HG22 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 0.63 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 30' ' ' LYS . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 2.58 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 0.84 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 1.92 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.23 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.727 ' HA ' HD12 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.55 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 0.89 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.42 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.857 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 0.97 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.04 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.07 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.39 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 0.49 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.545 HG21 HG11 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 0.42 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 0.76 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 0.34 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 0.43 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 2.92 112.475 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.49 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 0.91 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.32 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 0.55 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 0.72 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 0.57 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.42 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 0.57 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 0.35 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.75 HG11 HG22 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 0.34 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 0.25 112.959 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 0.29 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 1.92 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 0.94 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 0.36 109.52 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 0.48 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.29 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 . . . . . 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.19 113.29 -177.037 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.586 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 109.853 -0.425 . . . . 0.98 109.853 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 0.65 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 0.31 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 0.38 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 0.43 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.32 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 0.81 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 0.31 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 0.42 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.627 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 0.26 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 0.75 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 0.92 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 0.53 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.44 114.227 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG11 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 0.63 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 2.58 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 0.84 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 1.92 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.23 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.62 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.55 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 30' ' ' LYS . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 0.89 111.949 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.708 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.42 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 0.97 117.515 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.04 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.07 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.708 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.39 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG23 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.49 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 0.81 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 0.42 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 0.76 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 0.34 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 0.43 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.768 ' HA ' HG12 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 2.92 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.49 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.597 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 0.91 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.32 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 0.55 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 0.72 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' HG12 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 0.57 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.42 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 0.57 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.635 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 2.91 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.635 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 0.35 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 0.34 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 0.25 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 0.29 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 1.92 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 0.94 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 0.36 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 0.48 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.29 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.586 HE22 ' N ' ' A' ' 2' ' ' ALA . 13.8 pt20 . . . . . 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.19 108.907 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.486 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 107.855 -1.165 . . . . 0.98 107.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 0.65 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 0.31 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 0.38 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 0.43 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.32 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 0.81 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 0.31 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 HG13 ' A' ' 46' ' ' VAL . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 0.42 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 0.26 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 0.75 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 0.92 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 0.53 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.44 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.687 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 0.64 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 0.63 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 2.58 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 0.84 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 1.92 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.802 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.23 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.55 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 0.89 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.62 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.42 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 0.97 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.04 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.594 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.07 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.62 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.39 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 0.49 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 0.81 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.757 HG21 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 0.42 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 0.76 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 0.34 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 0.43 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 2.92 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.49 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 0.91 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.32 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 0.55 108.239 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 0.72 112.151 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.579 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 0.57 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.42 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 0.57 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 68' ' ' THR 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 2.91 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 0.35 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 0.34 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 0.25 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 0.29 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 1.92 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.579 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 0.94 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 0.36 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 0.48 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.29 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 13.1 pt20 . . . . . 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.19 111.151 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 0.98 110.236 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 0.65 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.594 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 0.31 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 0.38 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 0.43 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.32 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 0.81 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 0.31 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.543 HG22 HG13 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 0.42 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 0.26 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' VAL . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.75 111.672 -174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.623 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 0.53 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.44 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 0.64 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 0.63 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 2.58 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' HG23 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 0.84 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 1.92 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.756 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.23 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HA ' HD12 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.55 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.738 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 0.89 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.42 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 0.97 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.04 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.07 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.39 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 0.49 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 0.81 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 0.42 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 0.76 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 0.34 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 0.43 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 2.92 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.49 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 0.91 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.32 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 0.55 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 0.72 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 0.57 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.42 113.29 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 0.57 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 2.91 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 0.35 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 0.34 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 0.25 112.561 -177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 0.29 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 1.92 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 0.94 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.562 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 0.36 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.48 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.29 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.19 112.06 -179.369 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 107.067 -1.457 . . . . 0.98 107.067 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 0.65 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 0.31 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 0.38 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 0.43 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.32 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 0.81 111.223 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 0.31 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 0.42 109.719 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 0.26 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 14' ' ' ILE . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 0.75 110.743 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 0.92 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' HG12 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 0.53 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.44 114.951 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.876 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 0.64 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 HG11 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 0.63 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 2.58 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 0.84 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 1.92 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.55 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 0.89 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.42 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 0.97 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.04 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.07 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.503 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.39 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 0.49 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 0.81 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 0.42 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 0.76 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 0.34 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 0.43 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 2.92 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.49 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 0.91 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.554 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.32 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD11 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 0.55 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 0.72 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.667 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 0.57 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.42 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' HG23 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 2.91 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 0.35 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.557 HG11 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 0.34 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 68' ' ' THR . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 0.25 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 0.29 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 1.92 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 0.94 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 0.36 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 0.48 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.29 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.468 HE22 ' N ' ' A' ' 2' ' ' ALA . 13.8 pt20 . . . . . 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.19 110.441 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.426 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 107.617 -1.253 . . . . 0.98 107.617 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 0.65 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 0.38 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 0.43 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.32 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 0.81 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 0.31 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 0.42 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 0.26 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG13 HG22 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 0.75 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 0.92 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 0.53 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.44 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.602 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 0.64 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 0.63 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 2.58 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 0.84 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 1.92 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.23 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.55 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 0.89 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.42 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 0.97 116.011 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.04 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.07 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.39 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 0.49 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 0.81 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 0.42 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 0.76 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 0.34 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 0.43 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HA ' HG12 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 2.92 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.49 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 0.91 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.598 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.32 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 0.55 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 0.72 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 0.57 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.42 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 0.57 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 2.91 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 0.35 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 0.34 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 0.25 112.665 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 0.29 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 1.92 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.439 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 0.94 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 0.36 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 0.48 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.29 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HB3' HG23 ' A' ' 56' ' ' VAL . 13.9 pt20 . . . . . 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.19 111.382 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.087 -0.709 . . . . 0.98 109.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 0.65 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.747 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 0.31 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 0.38 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 0.43 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.32 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 0.81 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 0.31 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 0.42 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 0.26 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 HG22 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 0.75 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 0.92 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 0.53 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.44 113.882 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 0.64 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.68 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 0.63 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 2.58 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 0.84 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.68 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 1.92 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.23 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.55 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 0.89 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 46' ' ' VAL . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.42 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 0.97 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.04 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.07 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.39 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 0.49 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 0.81 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 0.42 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 0.76 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 0.34 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 0.43 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 2.92 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.747 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.49 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 0.91 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.32 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.502 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 0.55 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 0.72 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 0.57 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.42 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 0.57 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 2.91 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 0.35 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 0.34 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 0.25 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.602 ' HA ' HG21 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 0.29 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 1.92 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 0.94 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 0.36 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 0.48 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.29 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.704 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 14.1 pt20 . . . . . 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.19 110.938 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 0.98 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 0.65 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 0.31 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 0.38 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 0.43 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.32 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 0.81 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 0.31 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG22 HG13 ' A' ' 46' ' ' VAL . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 0.42 109.686 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 0.26 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 0.75 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 0.92 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.653 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 0.53 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.44 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.72 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 0.64 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 0.63 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 2.58 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' HG23 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 0.84 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 1.92 109.851 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.653 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.23 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.55 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 0.89 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.42 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 0.97 116.084 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.04 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.07 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.39 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 0.49 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 0.81 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 63' ' ' VAL . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 0.42 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 0.76 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 0.34 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 0.43 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 2.92 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.49 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 0.91 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.32 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 0.55 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 0.72 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.62 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 0.57 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.42 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 0.57 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 2.91 112.124 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 0.35 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 0.34 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 0.25 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 0.29 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 1.92 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.598 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 0.94 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 0.36 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 0.48 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.29 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 14.3 pt20 . . . . . 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.19 111.202 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 112.078 0.399 . . . . 0.98 112.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 0.65 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 0.31 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 0.38 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 0.43 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.32 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 0.81 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 0.31 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.759 HG22 HG23 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 0.42 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 0.75 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 0.92 111.621 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 0.53 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.44 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 0.64 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.651 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 0.63 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 2.58 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 0.84 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 1.92 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.23 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.55 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 0.89 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.42 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 0.97 115.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.04 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.07 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.678 ' O ' HG23 ' A' ' 47' ' ' VAL 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.39 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' VAL . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 0.49 108.944 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 HG22 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 0.81 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 43' ' ' MET . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 0.42 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.679 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 0.76 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 0.34 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 0.43 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.679 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 2.92 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.49 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 0.91 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.32 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 0.55 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 0.72 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.694 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 0.57 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.42 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 72' ' ' ALA . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.57 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 2.91 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 0.35 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 0.34 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 0.25 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HD12 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 0.29 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 1.92 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 0.94 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.771 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 0.36 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 0.48 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.29 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 . . . . . 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.19 109.355 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 0.98 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 0.65 108.711 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' THR . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 0.31 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 0.38 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 0.43 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.32 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 0.81 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 0.31 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 0.42 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.739 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 0.26 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 0.75 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.905 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 0.92 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.739 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 0.53 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.44 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 0.64 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 0.63 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 2.58 110.346 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 0.84 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 1.92 108.186 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.23 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.55 110.648 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.89 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.42 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 0.97 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.04 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.07 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.39 109.887 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 0.49 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.81 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 44' ' ' VAL . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 0.42 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 0.76 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 0.34 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 0.43 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 2.92 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.49 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 0.91 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.32 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.637 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 0.55 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 0.72 110.906 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 0.57 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.42 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 71' ' ' ASP . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 0.57 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.793 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 2.91 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.793 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 0.35 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.611 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 0.34 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.679 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 0.25 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 0.29 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 1.92 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 66' ' ' LEU . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 0.94 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 0.36 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.48 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.29 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HB3' HG23 ' A' ' 56' ' ' VAL . 21.1 pt20 . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.19 111.606 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.751 0 N-CA-C 109.676 -0.49 . . . . 0.98 109.676 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 0.65 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.638 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 0.31 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 0.38 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 0.43 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.32 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 0.81 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 0.31 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 HG23 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 0.42 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 0.26 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 0.75 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 0.92 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 0.53 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.44 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 0.64 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 0.63 106.672 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 2.58 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 0.84 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 1.92 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.655 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.23 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.622 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.55 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 0.89 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.42 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 0.97 113.414 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.04 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.07 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.535 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.39 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 0.49 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.755 HG23 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 0.81 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 43' ' ' MET . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 0.42 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 0.76 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 0.34 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 0.43 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.569 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 2.92 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.49 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 0.91 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.32 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 0.55 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 0.72 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 66' ' ' LEU . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 0.57 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.42 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 0.57 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 2.91 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 0.35 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 0.34 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 0.25 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 0.29 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 1.92 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 0.94 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 0.36 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 0.48 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.29 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' CA ' HG23 ' A' ' 56' ' ' VAL . 14.4 pt20 . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.19 110.484 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.101 -1.074 . . . . 0.98 108.101 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 0.65 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 0.31 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 0.38 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 0.43 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.32 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 0.81 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 0.31 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 0.42 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 0.26 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 18' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 0.75 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.94 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 0.92 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 0.53 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.736 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.44 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 0.64 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.736 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 0.63 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 2.58 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.536 ' HA ' HG23 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 0.84 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 1.92 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.55 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 0.89 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG13 ' HB2' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.42 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 0.97 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.04 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.07 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.519 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.39 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 0.49 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 0.81 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 0.42 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 0.76 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 0.34 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.757 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 2.92 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.49 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 0.91 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.32 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.615 HD11 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 0.55 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 0.72 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.685 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 0.57 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.42 111.359 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD12 HG23 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 0.57 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 2.91 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 0.35 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 0.34 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 0.25 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 0.29 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 1.92 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 0.94 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD11 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 0.36 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 0.48 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.29 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.647 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 12.6 pt20 . . . . . 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.19 110.276 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.486 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.904 -0.406 . . . . 0.98 109.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 0.65 108.311 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 3' ' ' THR . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 0.31 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 0.38 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.43 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.32 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 0.81 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 0.31 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 0.42 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.26 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 0.75 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 0.92 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 0.53 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.44 114.081 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 0.64 114.434 -173.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.6 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 HG11 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 0.63 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 2.58 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 0.84 113.766 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 1.92 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.23 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.55 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 0.89 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.42 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 0.97 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.04 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.565 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.07 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.548 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.39 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 0.49 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 0.81 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 0.42 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 0.76 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 0.43 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 2.92 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.49 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 0.91 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.713 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.32 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.697 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 0.55 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 0.72 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.683 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 0.57 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.42 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 0.57 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 2.91 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 0.35 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.741 HG11 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 0.34 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 0.25 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.601 ' HA ' HG21 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 0.29 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 1.92 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.409 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 0.94 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.697 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 0.36 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 0.48 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.29 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.486 HE22 ' N ' ' A' ' 2' ' ' ALA . 13.7 pt20 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.19 112.213 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.532 ' N ' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 107.735 -1.209 . . . . 0.98 107.735 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 0.65 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 0.31 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 0.38 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 0.43 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.32 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 0.81 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 0.31 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 0.42 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.26 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 0.75 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.822 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 0.92 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 0.53 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.44 113.047 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.803 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 0.64 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 0.63 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 2.58 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD22 ' HA2' ' A' ' 70' ' ' GLY . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 0.84 115.574 -171.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 1.92 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.23 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.55 113.444 -173.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.657 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 0.89 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.42 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.703 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 0.97 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.04 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.07 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.455 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.39 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 0.49 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 0.81 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 0.42 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 0.76 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 0.34 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 0.43 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 2.92 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.49 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 0.91 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.766 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.32 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 76' ' ' ILE . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 0.55 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 0.72 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 0.57 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.42 112.778 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 0.57 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HG2' HG23 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 2.91 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.679 HG23 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 0.35 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 0.34 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 0.25 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 0.29 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 1.92 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.613 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 0.94 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HG21 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 0.36 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 0.48 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.29 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' VAL . 14.1 pt20 . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.19 113.06 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 109.691 -0.485 . . . . 1.75 109.691 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -159.3 177.95 10.47 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.41 -0.589 . . . . 0.98 109.41 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 0.65 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 73' ' ' THR . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 0.31 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 0.38 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 0.43 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.32 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 0.81 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 0.31 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 0.42 110.238 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 0.26 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 0.75 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 0.92 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.732 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 0.53 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.44 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 0.64 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 0.63 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 2.58 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 0.84 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 1.92 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.773 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.23 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.55 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 0.89 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.42 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 0.97 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.04 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.07 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.39 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 0.49 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' H6A' ' A' ' 101' ' ' SOO . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 0.42 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 0.76 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 0.34 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 0.43 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.752 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 2.92 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.49 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 0.91 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.32 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 0.55 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 0.72 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 66' ' ' LEU . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 0.57 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HA ' ' C42' ' A' ' 101' ' ' SOO . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.42 115.308 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD12 HG23 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 0.57 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 2.91 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 0.35 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG11 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 0.34 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 0.25 112.42 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 0.29 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 1.92 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 0.94 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 0.36 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 73' ' ' THR . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 0.48 111.772 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.6 pt20 -108.05 172.68 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.19 110.656 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 N-CA-C 108.895 -0.78 . . . . 2.94 108.895 176.456 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.579 ' H6A' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 109.356 -0.609 . . . . 1.75 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.4 138.46 3.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.708 -0.849 . . . . 0.98 108.708 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 0.65 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.758 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 0.31 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 0.38 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 0.43 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.32 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 0.81 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 0.31 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 0.42 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 0.26 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.794 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 0.75 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 0.92 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.624 HG21 HD22 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 0.53 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.634 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.44 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 0.64 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.634 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.562 HG12 HG11 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 0.63 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 2.58 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 0.84 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 1.92 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.23 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.55 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 0.89 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.42 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 0.97 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.04 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.07 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.581 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.39 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 0.49 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.794 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 0.81 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 0.42 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 0.76 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 0.34 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 0.43 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 2.92 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.49 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 0.91 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.32 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.606 HD11 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 0.55 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 0.72 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 0.57 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.42 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 75' ' ' TYR . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 0.57 111.106 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 2.91 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 0.35 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 0.34 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 0.25 112.795 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.742 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 0.29 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 1.92 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 0.94 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG12 HD11 ' A' ' 58' ' ' ILE . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 0.36 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 74' ' ' LYS . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 0.48 109.066 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.29 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 -63.4 139.88 58.82 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.19 109.564 173.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.409 0 N-CA-C 107.358 -1.349 . . . . 2.94 107.358 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.581 ' C2 ' ' HG3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.708 -0.478 . . . . 1.75 109.708 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.21 -179.64 5.98 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.909 -0.775 . . . . 0.98 108.909 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 0.65 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 0.31 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 0.38 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 0.43 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.32 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 0.81 112.034 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 0.31 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 0.42 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 0.26 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 0.75 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 0.92 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 0.53 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.44 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.723 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 0.64 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 0.63 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 69' ' ' VAL . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 2.58 111.142 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 0.84 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 1.92 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.23 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.567 ' H ' HG23 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.55 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 HG22 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 0.89 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.42 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 0.97 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.04 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.616 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.07 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.674 ' SD ' ' H37' ' A' ' 101' ' ' SOO . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.39 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 0.49 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 0.81 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 0.42 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 0.76 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 0.34 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 0.43 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 2.92 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.49 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 0.91 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.632 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.32 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.811 HD11 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 0.55 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 0.72 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 0.57 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.42 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 0.57 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 0.35 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.585 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 0.34 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 0.25 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 0.29 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 1.92 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 0.94 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 0.36 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 0.48 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.29 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.3 pt20 -114.0 175.92 5.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.19 110.997 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.614 0 N-CA-C 106.749 -1.574 . . . . 2.94 106.749 175.223 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.674 ' H37' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 109.579 -0.526 . . . . 1.75 109.579 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 6' ' ' GLU . . . -168.75 142.18 2.97 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 0.98 108.219 -176.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 0.65 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 0.31 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 0.38 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 0.43 112.004 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.32 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.623 HD21 ' H7 ' ' A' ' 101' ' ' SOO . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 0.81 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 0.31 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.42 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 0.26 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 0.75 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 0.53 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.44 113.875 -177.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.769 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 0.64 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG12 HG11 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 0.63 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 2.58 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 0.84 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.944 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 1.92 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.23 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.55 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.42 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.689 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.686 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 0.97 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' H38' ' A' ' 101' ' ' SOO . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.04 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.689 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.07 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.39 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 0.49 109.846 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 0.81 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG22 ' H6A' ' A' ' 101' ' ' SOO . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 0.42 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' VAL . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 0.76 111.609 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 0.34 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 0.43 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 2.92 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.49 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.989 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 0.91 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.32 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 HG12 ' A' ' 76' ' ' ILE . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 0.55 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 0.72 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 0.57 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.42 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 0.57 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 2.91 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 0.35 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG11 HG12 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 0.34 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.561 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 0.25 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.582 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 0.29 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 1.92 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 0.94 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.989 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 0.36 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 0.48 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.29 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.817 ' HB3' HG12 ' A' ' 56' ' ' VAL . 3.1 pt20 -105.27 150.33 25.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.19 113.376 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.324 0 N-CA-C 105.4 -2.074 . . . . 2.94 105.4 175.137 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.688 ' H38' ' HA ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 109.363 -0.606 . . . . 1.75 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.91 133.1 2.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 0.98 108.481 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 0.65 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.766 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 0.31 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 0.38 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 0.43 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.32 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 0.81 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 0.31 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 0.42 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 0.26 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 0.75 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 0.92 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 0.53 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.44 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 0.64 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.785 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 0.63 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 2.58 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 0.84 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 1.92 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.788 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.23 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.55 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 0.89 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.42 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' H37' ' A' ' 101' ' ' SOO 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 0.97 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.04 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.07 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.39 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 0.49 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 0.81 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 0.42 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 0.76 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 0.34 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 0.43 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 2.92 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.49 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 0.91 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.32 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.518 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 0.55 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 0.72 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.529 ' HA ' HG12 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HB3' HG22 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 0.57 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.42 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 0.57 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 2.91 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 0.35 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 0.34 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 0.25 112.893 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.534 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 0.29 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 1.92 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 0.94 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 0.36 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 0.48 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.29 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.0 pt20 -112.38 144.1 42.38 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.19 107.61 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 108.768 -0.827 . . . . 2.94 108.768 176.553 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.5 ' H37' ' O ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.413 -1.328 . . . . 1.75 107.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.85 164.9 36.09 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 120.414 -0.514 . . . . 0.98 110.043 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 0.65 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.625 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 0.31 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 0.38 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 0.43 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.32 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 0.81 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 0.31 112.976 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 46' ' ' VAL . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 0.42 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 0.26 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 0.75 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 0.92 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 0.53 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.723 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.44 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 0.64 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 0.63 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 2.58 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 0.84 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 1.92 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.23 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.762 HG23 ' S1 ' ' A' ' 101' ' ' SOO . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.55 112.996 -177.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 HG13 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 0.89 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG13 HG13 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.42 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 0.97 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.04 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.596 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.07 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.39 112.718 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 0.49 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 18' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 0.81 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 0.42 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 0.76 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 0.34 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 0.43 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 2.92 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.49 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.654 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 0.91 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.654 ' H ' HG22 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.32 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 0.55 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 0.72 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 0.57 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.42 112.841 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 0.57 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 2.91 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 0.35 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 0.34 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 0.25 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 0.29 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 1.92 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 0.94 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 0.36 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.48 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.29 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.6 pt20 -96.52 125.7 41.19 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.19 112.595 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.176 -1.416 . . . . 2.94 107.176 176.652 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.762 ' S1 ' HG23 ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 N-CA-C 109.829 -0.434 . . . . 1.75 109.829 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -152.45 -169.92 3.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.556 -0.905 . . . . 0.98 108.556 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 0.65 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.738 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 0.31 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 0.38 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 0.43 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.32 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 0.81 113.121 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 0.31 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 0.42 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 0.26 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.533 HG13 HG22 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 0.75 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 0.92 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.682 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 0.53 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.44 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.75 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 0.64 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.75 HG22 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 0.63 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 30' ' ' LYS . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 2.58 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 0.84 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 1.92 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.23 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.727 ' HA ' HD12 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.55 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 0.89 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.42 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.857 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 0.97 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.04 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.07 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.39 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 0.49 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.545 HG21 HG11 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 0.42 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 0.76 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 0.34 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 0.43 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 2.92 112.475 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.49 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 0.91 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.32 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 0.55 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 0.72 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 0.57 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HA ' ' H42' ' A' ' 101' ' ' SOO . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.42 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 0.57 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 0.35 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.75 HG11 HG22 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 0.34 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 0.25 112.959 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 0.29 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 1.92 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 0.94 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG22 HE21 ' A' ' 80' ' ' GLN . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 0.36 109.52 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 0.48 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.29 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.581 HE21 HG22 ' A' ' 76' ' ' ILE . 54.5 mt-30 -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.19 113.29 -177.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.236 0 N-CA-C 105.843 -1.91 . . . . 2.94 105.843 174.443 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.523 ' H4 ' ' CG ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 108.644 -0.873 . . . . 1.75 108.644 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . -116.69 -179.13 3.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.853 -0.425 . . . . 0.98 109.853 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 0.65 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 0.31 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 0.38 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 0.43 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.32 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD21 ' H8A' ' A' ' 101' ' ' SOO . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 0.81 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 0.31 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 0.42 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 0.26 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 0.75 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 0.92 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 0.53 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.44 114.227 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG11 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 0.63 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 2.58 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 0.84 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 1.92 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.23 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.62 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.55 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 30' ' ' LYS . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 0.89 111.949 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.708 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.42 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.415 ' O ' ' H37' ' A' ' 101' ' ' SOO . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 0.97 117.515 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.04 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.07 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.708 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.39 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG23 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.49 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 0.81 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 0.42 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 0.76 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 0.34 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 0.43 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.768 ' HA ' HG12 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 2.92 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.49 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.597 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 0.91 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.32 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 0.55 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 0.72 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' HG12 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 0.57 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.42 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD12 ' H5 ' ' A' ' 101' ' ' SOO . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 0.57 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.635 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 2.91 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.635 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 0.35 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 0.34 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 0.25 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 0.29 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 1.92 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 0.94 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 0.36 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 0.48 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.29 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -87.94 150.76 23.27 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.19 108.907 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.711 1.257 . . . . 2.94 109.48 -172.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.679 ' H8A' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.882 0.372 . . . . 1.75 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -160.25 150.63 18.43 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.855 -1.165 . . . . 0.98 107.855 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 0.65 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 0.31 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 0.38 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 0.43 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.32 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 0.81 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 0.31 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 HG13 ' A' ' 46' ' ' VAL . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 0.42 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 0.26 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 0.75 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 0.92 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 0.53 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.44 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.687 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 0.64 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 0.63 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 2.58 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 0.84 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 1.92 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.802 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.23 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.55 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 0.89 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.62 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.42 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 0.97 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.04 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.594 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.07 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.762 ' HB2' ' H4A' ' A' ' 101' ' ' SOO . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.39 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 0.49 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 0.81 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.757 HG21 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 0.42 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 0.76 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 0.34 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 0.43 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 2.92 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.49 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 0.91 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.32 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 0.55 108.239 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 0.72 112.151 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.579 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 0.57 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.42 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 0.57 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 68' ' ' THR 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 2.91 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 0.35 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 0.34 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 0.25 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 0.29 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 1.92 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 0.94 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 0.36 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 0.48 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.29 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 3.9 pt20 -90.17 157.84 17.53 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.19 111.151 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 N-CA-C 105.604 -1.999 . . . . 2.94 105.604 170.144 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.762 ' H4A' ' HB2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.239 -1.023 . . . . 1.75 108.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.76 143.15 6.67 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 0.98 110.236 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 0.65 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.594 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 0.31 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 0.38 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 0.43 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.32 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 0.81 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 0.31 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.543 HG22 HG13 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 0.42 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 0.26 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' VAL . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.75 111.672 -174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.623 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 0.53 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.44 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 0.64 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 0.63 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 2.58 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' HG23 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 0.84 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 1.92 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.756 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.23 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HA ' HD12 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.55 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.738 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 0.89 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.42 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 0.97 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.04 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.07 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.436 ' CE ' ' H43' ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.39 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 0.49 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 0.81 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 0.42 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 0.76 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 0.34 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 0.43 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 2.92 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.49 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 0.91 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.32 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 0.55 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 0.72 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 0.57 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HD2' H38A ' A' ' 101' ' ' SOO . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.42 113.29 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 0.57 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 2.91 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 0.35 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 0.34 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 0.25 112.561 -177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 0.29 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 1.92 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 0.94 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.562 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 0.36 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.48 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.29 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.99 83.63 7.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.19 112.06 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.146 0 CA-C-N 114.025 -1.443 . . . . 2.94 107.153 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.699 HN36 ' H31' ' A' ' 101' ' ' SOO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.909 -0.404 . . . . 1.75 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -149.55 177.21 9.94 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.067 -1.457 . . . . 0.98 107.067 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 0.65 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 0.31 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 0.38 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 0.43 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.32 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 0.81 111.223 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 0.31 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 0.42 109.719 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 0.26 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 14' ' ' ILE . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 0.75 110.743 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 0.92 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' HG12 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 0.53 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.44 114.951 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.876 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 0.64 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 HG11 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 0.63 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 2.58 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 0.84 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 1.92 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.55 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 0.89 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.42 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 0.97 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.04 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.07 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.61 ' SD ' ' H37' ' A' ' 101' ' ' SOO . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.39 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 0.49 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 0.81 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 0.42 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 0.76 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 0.34 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 0.43 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 2.92 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.49 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 0.91 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.554 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.32 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD11 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 0.55 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 0.72 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.667 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 0.57 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.42 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' HG23 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 2.91 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 0.35 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.557 HG11 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 0.34 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 68' ' ' THR . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 0.25 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 0.29 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 1.92 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 0.94 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 0.36 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 0.48 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.29 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -100.83 170.81 8.07 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.19 110.441 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 N-CA-C 109.323 -0.621 . . . . 2.94 109.323 179.581 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.839 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 N-CA-C 109.984 -0.376 . . . . 1.75 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.79 177.02 9.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.617 -1.253 . . . . 0.98 107.617 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 0.65 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 0.38 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 0.43 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.32 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 0.81 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 0.31 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 0.42 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 0.26 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG13 HG22 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 0.75 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 0.92 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 0.53 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.44 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.602 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 0.64 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 0.63 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 2.58 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 0.84 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 1.92 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.23 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.55 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 0.89 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.42 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HB2' ' H28' ' A' ' 101' ' ' SOO 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 0.97 116.011 178.127 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.04 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.07 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HE3' ' H43' ' A' ' 101' ' ' SOO . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.39 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 0.49 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 0.81 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 0.42 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 0.76 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 0.34 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 0.43 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HA ' HG12 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 2.92 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.49 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 0.91 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.598 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.32 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 0.55 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 0.72 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 0.57 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.42 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 0.57 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 2.91 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 0.35 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 0.34 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 0.25 112.665 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 0.29 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 1.92 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.439 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 0.94 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 0.36 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 0.48 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.29 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.8 pt20 -109.51 170.43 8.06 Favored 'General case' 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.19 111.382 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.179 -1.415 . . . . 2.94 107.179 175.406 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.61 ' H28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.237 0.432 0 N-CA-C 109.208 -0.664 . . . . 1.75 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.78 -178.97 5.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.087 -0.709 . . . . 0.98 109.087 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 0.65 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.747 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 0.31 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 0.38 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 0.43 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.32 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 0.81 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 0.31 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 0.42 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 0.26 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 HG22 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 0.75 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 0.92 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 0.53 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.44 113.882 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 0.64 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.68 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 0.63 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 2.58 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 0.84 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.68 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 1.92 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.23 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.55 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 0.89 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 46' ' ' VAL . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.42 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 0.97 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.04 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.07 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.79 ' HB2' ' H4 ' ' A' ' 101' ' ' SOO . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.39 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 0.49 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 0.81 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 0.42 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 0.76 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 0.34 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 0.43 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 2.92 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.747 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.49 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 0.91 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.32 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.502 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 0.55 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 0.72 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 0.57 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.42 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 0.57 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 2.91 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 0.35 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 0.34 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 0.25 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.602 ' HA ' HG21 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 0.29 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 1.92 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 0.94 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 0.36 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 0.48 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.29 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.704 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.8 pt20 -95.97 163.21 13.24 Favored 'General case' 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.19 110.938 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 C-N-CA 124.959 1.303 . . . . 2.94 111.448 -178.561 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.79 ' H4 ' ' HB2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 109.925 -0.398 . . . . 1.75 109.925 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -165.89 144.99 6.12 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 0.98 108.312 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 0.65 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 0.31 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 0.38 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 0.43 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.32 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 0.81 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 0.31 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG22 HG13 ' A' ' 46' ' ' VAL . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 0.42 109.686 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 0.26 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 0.75 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 0.92 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.653 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 0.53 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.44 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.72 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 0.64 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 0.63 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 2.58 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' HG23 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 0.84 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 1.92 109.851 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.653 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.23 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.55 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 0.89 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.42 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 0.97 116.084 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.04 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.07 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.39 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 0.49 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 0.81 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 63' ' ' VAL . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 0.42 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 0.76 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 0.34 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 0.43 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 2.92 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.49 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 0.91 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.804 ' HE2' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.32 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 0.55 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 0.72 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 0.57 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.42 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 0.57 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 2.91 112.124 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 0.35 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 0.34 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 0.25 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 0.29 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 1.92 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.598 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 0.94 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 0.36 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 0.48 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.29 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -97.45 170.31 9.14 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.19 111.202 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . . . . . . . . 0 N--CA 1.424 -1.763 0 N-CA-C 107.14 -1.43 . . . . 2.94 107.14 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.491 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.566 -0.531 . . . . 1.75 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.43 178.24 4.61 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.274 -0.421 . . . . 0.98 112.078 -174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 0.65 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 0.31 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 0.38 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 0.43 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.32 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 0.81 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 0.31 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.759 HG22 HG23 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 0.42 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 0.75 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 0.92 111.621 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 0.53 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.44 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 0.64 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.651 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 0.63 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 2.58 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 0.84 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 1.92 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.23 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.55 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 0.89 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.42 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 0.97 115.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.04 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.07 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.705 ' SD ' ' H37' ' A' ' 101' ' ' SOO 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.39 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' VAL . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 0.49 108.944 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 HG22 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 0.81 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 0.42 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.679 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 0.76 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 0.34 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 0.43 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.679 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 2.92 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.49 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 0.91 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.32 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 0.55 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 0.72 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.694 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 0.57 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.42 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 ' H6A' ' A' ' 101' ' ' SOO . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.57 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 2.91 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 0.35 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 0.34 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 0.25 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HD12 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 0.29 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 1.92 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 0.94 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.771 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 0.36 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 0.48 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.29 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 -73.12 178.39 4.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.19 109.355 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.681 0 C-N-CA 123.851 0.861 . . . . 2.94 110.404 179.02 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.857 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.696 -0.853 . . . . 1.75 108.696 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.4 -175.34 4.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 0.98 109.387 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 0.65 108.711 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' THR . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 0.31 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 0.38 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 0.43 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.32 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD21 ' H8B' ' A' ' 101' ' ' SOO . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 0.81 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 0.31 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 0.42 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.739 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 0.26 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 0.75 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.905 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 0.92 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.739 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 0.53 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.44 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 0.64 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 0.63 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 2.58 110.346 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 0.84 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 1.92 108.186 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.23 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' S1 ' ' A' ' 101' ' ' SOO . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.55 110.648 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.89 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.42 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 0.97 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.04 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.07 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' ' H43' ' A' ' 101' ' ' SOO . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.39 109.887 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 0.49 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.81 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 ' H7A' ' A' ' 101' ' ' SOO . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 0.42 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 0.76 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 0.34 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 0.43 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 2.92 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.49 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 0.91 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.32 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.637 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 0.55 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 0.72 110.906 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 0.57 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.42 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 71' ' ' ASP . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 0.57 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.793 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 2.91 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.793 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 0.35 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.611 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 0.34 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.679 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 0.25 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 0.29 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 1.92 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 66' ' ' LEU . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 0.94 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 0.36 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.48 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.29 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HB3' HG23 ' A' ' 56' ' ' VAL . 11.7 pt20 -124.41 172.96 8.74 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.19 111.606 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.207 -1.405 . . . . 2.94 107.207 176.685 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.659 ' H8B' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.851 -0.796 . . . . 1.75 108.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.4 123.08 27.73 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.676 -0.49 . . . . 0.98 109.676 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 0.65 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.638 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 0.31 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 0.38 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 0.43 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.32 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 0.81 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 0.31 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 HG23 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 0.42 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 0.26 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 0.75 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 0.92 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 0.53 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.44 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 0.64 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 0.63 106.672 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 2.58 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 0.84 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 1.92 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.655 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.23 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.622 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.55 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 0.89 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.42 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.453 ' O ' ' H37' ' A' ' 101' ' ' SOO 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 0.97 113.414 -179.198 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.04 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.07 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.535 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.39 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 0.49 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.755 HG23 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 0.81 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 0.42 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 0.76 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 0.34 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 0.43 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.569 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 2.92 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.49 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 0.91 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.32 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 0.55 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 0.72 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 66' ' ' LEU . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 0.57 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.42 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 0.57 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 2.91 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 0.35 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 0.34 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 0.25 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 0.29 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 1.92 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 0.94 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 0.36 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 0.48 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.29 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.2 pt20 -88.64 109.86 20.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.19 110.484 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -1.8 0 CA-C-N 115.308 -0.86 . . . . 2.94 108.771 -178.504 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.618 ' O40' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.395 -0.595 . . . . 1.75 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.65 136.49 3.74 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.101 -1.074 . . . . 0.98 108.101 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 0.65 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 0.31 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 0.38 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 0.43 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.32 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 0.81 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 0.31 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 0.42 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 0.26 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 18' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 0.75 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.94 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 0.92 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 0.53 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.736 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.44 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 0.64 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.736 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 0.63 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 2.58 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.536 ' HA ' HG23 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 0.84 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 1.92 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.55 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 0.89 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG13 ' HB2' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.42 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 0.97 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.04 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.07 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.695 ' HE3' ' H2 ' ' A' ' 101' ' ' SOO . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.39 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 0.49 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 0.81 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.723 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 0.42 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 0.76 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 0.34 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.757 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 2.92 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.49 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 0.91 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.32 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.615 HD11 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 0.55 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 0.72 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.685 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 0.57 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HA ' ' H42' ' A' ' 101' ' ' SOO . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.42 111.359 177.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD12 HG23 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 0.57 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 2.91 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 0.35 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 0.34 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 0.25 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 0.29 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 1.92 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 0.94 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD11 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 0.36 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 0.48 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.29 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.647 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.1 pt20 -96.91 161.03 14.03 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.19 110.276 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.165 0 N-CA-C 107.221 -1.4 . . . . 2.94 107.221 173.559 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.723 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.496 -0.927 . . . . 1.75 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . -97.51 173.97 6.9 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.904 -0.406 . . . . 0.98 109.904 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 0.65 108.311 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 3' ' ' THR . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 0.31 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 0.38 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.43 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.32 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 0.81 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 0.31 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 0.42 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.26 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 0.75 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 0.92 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 0.53 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.44 114.081 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 0.64 114.434 -173.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.6 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 HG11 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 0.63 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 2.58 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 0.84 113.766 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 1.92 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.23 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.55 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 0.89 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.42 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.486 ' HB2' H43A ' A' ' 101' ' ' SOO . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 0.97 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.04 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.565 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.07 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.548 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.39 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 0.49 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 0.81 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 0.42 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 0.76 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 0.43 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 2.92 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.49 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 0.91 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.713 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.32 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.697 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 0.55 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 0.72 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.683 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 0.57 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.42 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 0.57 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 2.91 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 0.35 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.741 HG11 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 0.34 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 0.25 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.601 ' HA ' HG21 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 0.29 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 1.92 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.409 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 0.94 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.697 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 0.36 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 0.48 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.29 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 2' ' ' ALA . 4.0 pt20 -75.49 -169.84 1.11 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.19 112.213 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.172 1.389 . . . . 2.94 110.549 -177.004 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.486 H43A ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.879 0 N-CA-C 109.573 -0.529 . . . . 1.75 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 171.22 8.52 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.735 -1.209 . . . . 0.98 107.735 175.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 0.65 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 0.31 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 0.38 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 0.43 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.32 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 0.81 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 0.31 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 0.42 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.26 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 0.75 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.822 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 0.92 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 0.53 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.44 113.047 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.803 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 0.64 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 0.63 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 2.58 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD22 ' HA2' ' A' ' 70' ' ' GLY . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 0.84 115.574 -171.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 1.92 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.23 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' ' H6 ' ' A' ' 101' ' ' SOO . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.55 113.444 -173.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.657 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 0.89 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.42 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.703 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 0.97 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.04 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.07 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.455 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.39 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 0.49 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 0.81 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 0.42 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 0.76 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 0.34 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 0.43 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 2.92 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.49 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 0.91 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.766 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.32 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 76' ' ' ILE . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 0.55 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 0.72 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 0.57 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB3' ' O40' ' A' ' 101' ' ' SOO . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.42 112.778 -176.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 0.57 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HG2' HG23 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 2.91 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.679 HG23 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 0.35 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 0.34 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 0.25 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 0.29 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 1.92 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.613 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 0.94 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HG21 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 0.36 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 0.48 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.29 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -84.53 -179.82 7.23 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.19 113.06 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.726 0 O-C-N 125.537 1.773 . . . . 2.94 109.218 -175.602 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SOO . . . . . 0.595 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.41 -0.589 . . . . 0.98 109.41 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 0.65 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 73' ' ' THR . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 0.31 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 0.38 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 0.43 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.32 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 0.81 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 0.31 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 0.42 110.238 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 0.26 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 0.75 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 0.92 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.732 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 0.53 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.44 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 0.64 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 0.63 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 2.58 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 0.84 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 1.92 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.773 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.23 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.55 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 0.89 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.42 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 0.97 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.04 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.07 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.39 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 0.49 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 0.42 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 0.76 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 0.34 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 0.43 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.752 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 2.92 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.49 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 0.91 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.32 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 0.55 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 0.72 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 66' ' ' LEU . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 0.57 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.42 115.308 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD12 HG23 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 0.57 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 2.91 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 0.35 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG11 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 0.34 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 0.25 112.42 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 0.29 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 1.92 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 0.94 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 0.36 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 73' ' ' THR . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 0.48 111.772 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.6 pt20 . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.19 110.656 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 108.708 -0.849 . . . . 0.98 108.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 0.65 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.758 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 0.31 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 0.38 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 0.43 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.32 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 0.81 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 0.31 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 0.42 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 0.26 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.794 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 0.75 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 0.92 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.624 HG21 HD22 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 0.53 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.634 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.44 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 0.64 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.634 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.562 HG12 HG11 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 0.63 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 2.58 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 0.84 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 1.92 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.23 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.55 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 0.89 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.42 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 0.97 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.04 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.07 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.39 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 0.49 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.794 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 0.81 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 0.42 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 0.76 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 0.34 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 0.43 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 2.92 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.49 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 0.91 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.32 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.606 HD11 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 0.55 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 0.72 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 0.57 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.42 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 75' ' ' TYR . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 0.57 111.106 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 2.91 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 0.35 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 0.34 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 0.25 112.795 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.742 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 0.29 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 1.92 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 0.94 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.606 HG12 HD11 ' A' ' 58' ' ' ILE . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 0.36 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 74' ' ' LYS . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 0.48 109.066 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.29 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.19 109.564 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.237 0 N-CA-C 108.909 -0.775 . . . . 0.98 108.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 0.65 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.669 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 0.31 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 0.38 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 0.43 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.32 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 0.81 112.034 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 0.31 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 0.42 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 0.26 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 0.75 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 0.92 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 0.53 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.44 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.723 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 0.64 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 0.63 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 69' ' ' VAL . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 2.58 111.142 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 0.84 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 1.92 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.23 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.567 ' H ' HG23 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.55 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 HG22 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 0.89 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.42 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 0.97 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.04 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.616 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.07 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.532 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.39 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 0.49 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 0.81 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 0.42 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 0.76 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 0.34 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 0.43 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 2.92 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.49 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 0.91 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.632 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.32 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.811 HD11 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 0.55 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 0.72 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 0.57 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.42 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 0.57 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 0.35 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.585 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 0.34 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 0.25 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 0.29 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 1.92 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 0.94 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 0.36 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 0.48 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.29 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.3 pt20 . . . . . 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.19 110.997 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 0.98 108.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 0.65 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 0.31 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 0.38 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 0.43 112.004 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.32 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 0.81 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 0.31 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.42 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 0.26 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 0.75 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 0.53 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.44 113.875 -177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.769 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 0.64 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG12 HG11 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 0.63 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 2.58 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 0.84 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.944 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 1.92 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.23 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.55 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.42 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.689 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.686 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 0.97 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 42' ' ' SER . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.04 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.689 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.07 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.39 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 0.49 109.846 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 0.81 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 HG11 ' A' ' 63' ' ' VAL . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 0.42 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' VAL . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 0.76 111.609 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 0.34 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 0.43 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 2.92 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.49 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.989 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 0.91 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.32 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 HG12 ' A' ' 76' ' ' ILE . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 0.55 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 0.72 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 0.57 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.42 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 0.57 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 2.91 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 0.35 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG11 HG12 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 0.34 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.561 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 0.25 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.582 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 0.29 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 1.92 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 0.94 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.989 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 0.36 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 0.48 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.29 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.817 ' HB3' HG12 ' A' ' 56' ' ' VAL . 3.1 pt20 . . . . . 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.19 113.376 -177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 0.98 108.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 0.65 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.766 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 0.31 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 0.38 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 0.43 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.32 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 0.81 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 0.31 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 0.42 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 0.26 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 0.75 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 0.92 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 0.53 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.44 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 0.64 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.785 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 0.63 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 2.58 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 0.84 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 1.92 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.788 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.23 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.55 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 0.89 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.42 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 0.97 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.04 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.07 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.39 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 0.49 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 0.81 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 0.42 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 0.76 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 0.34 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 0.43 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 2.92 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.49 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 0.91 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.66 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.32 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.518 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 0.55 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 0.72 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.529 ' HA ' HG12 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HB3' HG22 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 0.57 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.42 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 0.57 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 2.91 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 0.35 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 0.34 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 0.25 112.893 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.534 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 0.29 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 1.92 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 0.94 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 0.36 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 0.48 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.29 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.0 pt20 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.19 107.61 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.287 0 N-CA-C 110.043 -0.355 . . . . 0.98 110.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 0.65 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.625 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 0.31 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 0.38 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 0.43 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.32 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 0.81 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 0.31 112.976 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 46' ' ' VAL . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 0.42 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 0.26 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 0.75 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 0.92 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 0.53 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.723 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.44 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 0.64 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 0.63 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 2.58 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 0.84 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 1.92 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.23 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.55 112.996 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 HG13 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 0.89 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG13 HG13 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.42 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 0.97 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.04 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.596 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.07 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.39 112.718 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 0.49 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 18' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 0.81 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 0.42 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 0.76 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 0.34 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 0.43 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 2.92 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.49 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.654 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 0.91 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.654 ' H ' HG22 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.32 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 0.55 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 0.72 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 0.57 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.42 112.841 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 0.57 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 2.91 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 0.35 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 0.34 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 0.25 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 0.29 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 1.92 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 0.94 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 0.36 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.48 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.29 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.6 pt20 . . . . . 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.19 112.595 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.556 -0.905 . . . . 0.98 108.556 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 0.65 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.738 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 0.31 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 0.38 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 0.43 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.32 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 0.81 113.121 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 0.31 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 0.42 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 0.26 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.533 HG13 HG22 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 0.75 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 0.92 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.682 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 0.53 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.44 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.75 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 0.64 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.75 HG22 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 0.63 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 30' ' ' LYS . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 2.58 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 0.84 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 1.92 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.23 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.727 ' HA ' HD12 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.55 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 0.89 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.42 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.857 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 0.97 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.04 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.07 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.39 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 0.49 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.545 HG21 HG11 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 0.42 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 0.76 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 0.34 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 0.43 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 2.92 112.475 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.49 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 0.91 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.32 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 0.55 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 0.72 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 0.57 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.42 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 0.57 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 0.35 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.75 HG11 HG22 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 0.34 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 0.25 112.959 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.418 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 0.29 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 1.92 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 0.94 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG22 HE21 ' A' ' 80' ' ' GLN . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 0.36 109.52 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 0.48 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.29 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.581 HE21 HG22 ' A' ' 76' ' ' ILE . 54.5 mt-30 . . . . . 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.19 113.29 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.436 -1.162 0 N-CA-C 109.853 -0.425 . . . . 0.98 109.853 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 0.65 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 0.31 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 0.38 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 0.43 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.32 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 0.81 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 0.31 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 0.42 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.627 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 0.26 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 0.75 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 0.92 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 0.53 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.44 114.227 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG11 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 0.63 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 2.58 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 0.84 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 1.92 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.23 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.62 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.55 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 30' ' ' LYS . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 0.89 111.949 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.708 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.42 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 0.97 117.515 176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.04 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.07 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.708 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.39 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG23 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.49 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 0.81 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 0.42 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 0.76 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 0.34 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 0.43 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.768 ' HA ' HG12 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 2.92 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.49 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.597 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 0.91 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.32 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 0.55 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 0.72 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' HG12 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 0.57 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.42 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 0.57 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.635 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 2.91 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.635 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 0.35 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 0.34 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 0.25 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 0.29 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 1.92 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 0.94 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 0.36 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 0.48 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.29 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 . . . . . 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.19 108.907 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 107.855 -1.165 . . . . 0.98 107.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 0.65 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 0.31 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 0.38 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 0.43 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.32 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 0.81 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 0.31 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 HG13 ' A' ' 46' ' ' VAL . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 0.42 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 0.26 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 0.75 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 0.92 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 0.53 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.44 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.687 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 0.64 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 0.63 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 2.58 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 0.84 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 1.92 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.802 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.23 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.55 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 0.89 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.62 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.42 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 0.97 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.04 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.594 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.07 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.62 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.39 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 0.49 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 0.81 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.757 HG21 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 0.42 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 0.76 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 0.34 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 0.43 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 2.92 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.49 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 0.91 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.32 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 0.55 108.239 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 0.72 112.151 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.579 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 0.57 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.42 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 0.57 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 68' ' ' THR 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 2.91 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 0.35 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 0.34 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 0.25 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 0.29 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 1.92 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.579 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 0.94 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 0.36 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 0.48 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.29 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 3.9 pt20 . . . . . 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.19 111.151 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 0.98 110.236 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 0.65 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.594 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 0.31 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 0.38 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 0.43 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.32 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 0.81 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 0.31 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.543 HG22 HG13 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 0.42 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 0.26 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' VAL . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.75 111.672 -174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.623 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 0.53 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.44 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 0.64 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 0.63 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 2.58 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' HG23 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 0.84 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 1.92 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.756 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.23 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HA ' HD12 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.55 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.738 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 0.89 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.42 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 0.97 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.04 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.07 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.407 ' C ' ' SD ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.39 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 0.49 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 0.81 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 0.42 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 0.76 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 0.34 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 0.43 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 2.92 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.49 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 0.91 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.32 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 0.55 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 0.72 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 0.57 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.42 113.29 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 0.57 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 2.91 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 0.35 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 0.34 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 0.25 112.561 -177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 0.29 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 1.92 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 0.94 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.562 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 0.36 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.48 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.29 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.19 112.06 -179.369 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 107.067 -1.457 . . . . 0.98 107.067 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 0.65 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 0.31 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 0.38 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 0.43 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.32 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 0.81 111.223 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 0.31 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 0.42 109.719 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 0.26 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 14' ' ' ILE . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 0.75 110.743 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 0.92 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' HG12 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 0.53 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.44 114.951 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.876 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 0.64 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 HG11 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 0.63 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 2.58 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 0.84 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 1.92 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.55 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 0.89 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.42 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 0.97 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.04 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.07 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.503 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.39 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 0.49 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 0.81 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 0.42 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 0.76 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 0.34 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 0.43 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 2.92 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.49 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 0.91 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.554 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.32 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD11 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 0.55 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 0.72 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.667 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 0.57 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.42 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' HG23 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 2.91 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 0.35 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.557 HG11 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 0.34 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 68' ' ' THR . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 0.25 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 0.29 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 1.92 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 0.94 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 0.36 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 0.48 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.29 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.19 110.441 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.413 0 N-CA-C 107.617 -1.253 . . . . 0.98 107.617 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 0.65 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 0.38 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 0.43 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.32 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 0.81 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 0.31 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 0.42 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 0.26 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG13 HG22 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 0.75 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 0.92 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 0.53 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.44 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.602 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 0.64 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 0.63 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 2.58 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 0.84 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 1.92 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.23 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.55 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 0.89 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.42 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 0.97 116.011 178.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.04 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.07 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.464 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.39 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 0.49 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 0.81 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 0.42 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 0.76 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 0.34 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 0.43 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HA ' HG12 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 2.92 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.49 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 0.91 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.598 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.32 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 0.55 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 0.72 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 0.57 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.42 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 0.57 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 2.91 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 0.35 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 0.34 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 0.25 112.665 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 0.29 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 1.92 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.439 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 0.94 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.644 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 0.36 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 0.48 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.29 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.8 pt20 . . . . . 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.19 111.382 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.087 -0.709 . . . . 0.98 109.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 0.65 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.747 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 0.31 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 0.38 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 0.43 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.32 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 0.81 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 0.31 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 0.42 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 0.26 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 HG22 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 0.75 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 0.92 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 0.53 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.44 113.882 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 0.64 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.68 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 0.63 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 2.58 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 0.84 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.68 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 1.92 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.23 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.55 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 0.89 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 46' ' ' VAL . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.42 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 0.97 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.04 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.07 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.39 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 0.49 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 0.81 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 0.42 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 0.76 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 0.34 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 0.43 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 2.92 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.747 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.49 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 0.91 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.32 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.502 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 0.55 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 0.72 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 0.57 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.42 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 0.57 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 2.91 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 0.35 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 0.34 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 0.25 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.602 ' HA ' HG21 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 0.29 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 1.92 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 0.94 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 0.36 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 0.48 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.29 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.704 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.8 pt20 . . . . . 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.19 110.938 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 0.98 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 0.65 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 0.31 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 0.38 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 0.43 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.32 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 0.81 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 0.31 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG22 HG13 ' A' ' 46' ' ' VAL . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 0.42 109.686 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 0.26 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 0.75 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 0.92 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.653 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 0.53 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.44 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.72 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 0.64 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 0.63 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 2.58 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' HG23 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 0.84 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 1.92 109.851 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.653 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.23 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.55 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 0.89 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.42 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 0.97 116.084 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.04 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.07 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.39 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 0.49 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 0.81 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 63' ' ' VAL . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 0.42 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 0.76 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 0.34 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 0.43 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 2.92 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.49 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 0.91 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.32 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 0.55 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 0.72 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.62 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 0.57 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.42 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 0.57 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 2.91 112.124 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 0.35 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 0.34 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 0.25 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 0.29 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 1.92 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.598 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 0.94 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 0.36 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 0.48 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.29 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 . . . . . 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.19 111.202 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.795 0 N-CA-C 112.078 0.399 . . . . 0.98 112.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 0.65 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 0.31 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 0.38 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 0.43 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.32 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 0.81 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 0.31 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.759 HG22 HG23 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 0.42 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 0.75 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 0.92 111.621 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 0.53 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.44 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 0.64 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.651 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 0.63 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 2.58 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 0.84 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 1.92 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.23 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.55 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 0.89 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.42 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 0.97 115.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.04 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.07 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.678 ' O ' HG23 ' A' ' 47' ' ' VAL 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.39 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' VAL . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 0.49 108.944 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 HG22 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 0.81 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 43' ' ' MET . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 0.42 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.679 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 0.76 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 0.34 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 0.43 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.679 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 2.92 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.49 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 0.91 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.32 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 0.55 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 0.72 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.694 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 0.57 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.42 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 72' ' ' ALA . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.57 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 2.91 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 0.35 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 0.34 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 0.25 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HD12 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 0.29 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 1.92 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 0.94 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.771 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 0.36 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 0.48 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.29 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 . . . . . 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.19 109.355 174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 0.98 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 0.65 108.711 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' THR . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 0.31 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 0.38 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 0.43 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.32 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 0.81 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 0.31 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 0.42 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.739 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 0.26 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 0.75 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.905 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 0.92 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.739 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 0.53 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.44 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 0.64 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 0.63 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 2.58 110.346 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 0.84 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 1.92 108.186 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.23 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.55 110.648 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.89 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.42 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 0.97 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.04 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.07 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.39 109.887 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 0.49 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.81 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 44' ' ' VAL . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 0.42 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 0.76 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 0.34 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 0.43 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 2.92 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.49 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 0.91 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.32 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.637 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 0.55 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 0.72 110.906 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 0.57 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.42 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 71' ' ' ASP . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 0.57 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.793 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 2.91 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.793 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 0.35 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.611 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 0.34 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.679 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 0.25 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 0.29 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 1.92 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 66' ' ' LEU . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 0.94 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 0.36 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.48 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.29 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HB3' HG23 ' A' ' 56' ' ' VAL . 11.7 pt20 . . . . . 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.19 111.606 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.751 0 N-CA-C 109.676 -0.49 . . . . 0.98 109.676 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 0.65 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.638 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 0.31 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 0.38 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 0.43 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.32 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 0.81 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 0.31 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 HG23 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 0.42 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 0.26 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 0.75 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 0.92 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 0.53 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.44 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 0.64 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 0.63 106.672 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 2.58 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 0.84 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 1.92 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.655 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.23 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.622 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.55 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 0.89 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.42 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 0.97 113.414 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.04 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.07 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.535 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.39 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 0.49 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.755 HG23 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 0.81 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 43' ' ' MET . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 0.42 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 0.76 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 0.34 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 0.43 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.569 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 2.92 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.49 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 0.91 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.32 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 0.55 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 0.72 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.496 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 66' ' ' LEU . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 0.57 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.42 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 0.57 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 2.91 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 0.35 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 0.34 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 0.25 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 0.29 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 1.92 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 0.94 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 0.36 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 0.48 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.29 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.2 pt20 . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.19 110.484 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.842 0 N-CA-C 108.101 -1.074 . . . . 0.98 108.101 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 0.65 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 0.31 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 0.38 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 0.43 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.32 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 0.81 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 0.31 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 0.42 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 0.26 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 18' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 0.75 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.94 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 0.92 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 0.53 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.736 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.44 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 0.64 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.736 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 0.63 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 2.58 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.536 ' HA ' HG23 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 0.84 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 1.92 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.55 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 0.89 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG13 ' HB2' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.42 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 0.97 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.04 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.07 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.519 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.39 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 0.49 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 0.81 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 0.42 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 0.76 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 0.34 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.757 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 2.92 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.49 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 0.91 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.32 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.615 HD11 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 0.55 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 0.72 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.685 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 0.57 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.42 111.359 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD12 HG23 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 0.57 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 2.91 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 0.35 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 0.34 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 0.25 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 0.29 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 1.92 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 0.94 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD11 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 0.36 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 0.48 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.29 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.647 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.1 pt20 . . . . . 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.19 110.276 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.904 -0.406 . . . . 0.98 109.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 0.65 108.311 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 3' ' ' THR . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 0.31 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 0.38 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.43 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.32 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 0.81 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 0.31 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 0.42 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.26 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 0.75 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 0.92 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 0.53 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.44 114.081 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 0.64 114.434 -173.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.6 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 HG11 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 0.63 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 2.58 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 0.84 113.766 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 1.92 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.23 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.55 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 0.89 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.42 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 0.97 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.04 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.565 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.07 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.548 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.39 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 0.49 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 0.81 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 0.42 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 0.76 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 0.43 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 2.92 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.49 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 0.91 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.713 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.32 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.697 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 0.55 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 0.72 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.683 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 0.57 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.42 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 0.57 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 2.91 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 0.35 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.741 HG11 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 0.34 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 0.25 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.601 ' HA ' HG21 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 0.29 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 1.92 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.409 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 0.94 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.697 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 0.36 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 0.48 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.29 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 2' ' ' ALA . 4.0 pt20 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.19 112.213 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 107.735 -1.209 . . . . 0.98 107.735 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 0.65 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 0.31 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 0.38 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 0.43 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.32 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 0.81 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 0.31 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 0.42 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.26 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 0.75 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.822 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 0.92 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 0.53 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.44 113.047 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.803 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 0.64 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 0.63 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 2.58 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD22 ' HA2' ' A' ' 70' ' ' GLY . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 0.84 115.574 -171.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 1.92 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.23 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.537 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.55 113.444 -173.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.657 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 0.89 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.42 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.703 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 0.97 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.04 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.07 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.455 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.39 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 0.49 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 0.81 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 0.42 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 0.76 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 0.34 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 0.43 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 2.92 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.49 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 0.91 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.766 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.32 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 76' ' ' ILE . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 0.55 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 0.72 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.613 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 0.57 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.42 112.778 -176.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 0.57 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HG2' HG23 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 2.91 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.679 HG23 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 0.35 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 0.34 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 0.25 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 0.29 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 1.92 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.613 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 0.94 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HG21 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 0.36 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 0.48 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.29 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 . . . . . 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.19 113.06 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 109.691 -0.485 . . . . 1.75 109.691 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -159.3 177.95 10.47 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.41 -0.589 . . . . 0.98 109.41 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 25.5 p -121.32 -172.64 2.45 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.779 -0.823 . . . . 0.65 108.779 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.07 -36.76 77.97 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 107.048 -1.464 . . . . 1.22 107.048 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -65.31 -23.98 67.16 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 114.686 -1.143 . . . . 2.63 111.489 177.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 24.2 mm-40 -86.4 -34.87 20.04 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.803 -0.759 . . . . 1.91 111.086 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 73' ' ' THR . 92.4 mt -71.0 -64.39 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 N-CA-C 110.342 -0.244 . . . . 0.31 110.342 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -58.55 -63.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 C-N-CA 123.661 0.784 . . . . 0.38 110.791 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -63.33 -39.75 95.41 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.241 -0.436 . . . . 0.43 111.796 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 6' ' ' GLU . . . -69.27 -41.16 80.1 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 116.081 -0.508 . . . . 0.32 112.84 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 11' ' ' LEU . 11.2 mt -57.37 -35.73 70.34 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 112.779 0.659 . . . . 0.81 112.779 178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 -28.29 68.6 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 120.689 -0.404 . . . . 0.31 111.59 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.6 mt-10 -67.15 -51.5 53.16 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.473 -0.936 . . . . 1.77 108.473 175.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -61.81 -46.8 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.65 -0.704 . . . . 0.42 110.238 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.5 t -60.96 -29.55 45.79 Favored 'Isoleucine or valine' 0 C--O 1.247 0.971 0 C-N-CA 123.272 0.629 . . . . 0.26 111.406 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -74.63 -25.99 59.59 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.973 -0.558 . . . . 0.49 109.971 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.9 mm-40 -79.42 -54.79 5.58 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.271 -0.64 . . . . 1.86 109.271 177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 46' ' ' VAL . 49.4 mm -59.8 -52.33 62.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.347 -0.842 . . . . 0.75 111.056 -177.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.2 -51.44 2.71 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.155 0.502 . . . . 0.92 111.304 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.87 30.99 1.52 Allowed Glycine 0 C--N 1.304 -1.245 0 C-N-CA 119.863 -1.161 . . . . 0.73 111.831 -177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.732 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.1 mm -85.33 135.09 39.32 Favored Pre-proline 0 C--N 1.31 -1.138 0 N-CA-C 107.327 -1.36 . . . . 0.53 107.327 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 45.8 Cg_exo -37.78 140.87 0.25 Allowed 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 124.573 3.515 . . . . 0.44 114.97 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.27 19.0 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 N-CA-C 114.534 1.309 . . . . 0.64 114.534 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 12.1 pt-20 -147.68 5.11 0.78 Allowed 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.018 -0.734 . . . . 2.19 109.018 176.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 37.5 t70 -95.1 -2.27 50.37 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.78 0.8 . . . . 0.62 111.8 -169.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG11 ' A' ' 69' ' ' VAL . 57.7 t -99.31 72.42 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.73 0 N-CA-C 106.332 -1.729 . . . . 0.63 106.332 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 33.2 mmtp -91.1 165.35 13.55 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 113.449 -1.705 . . . . 2.58 111.373 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -51.98 -35.43 46.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.49 1.116 . . . . 0.84 113.797 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.47 13.72 25.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.768 0.318 . . . . 2.39 111.416 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE3' HD23 ' A' ' 36' ' ' LEU . 26.1 mmmt -106.58 108.28 19.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.334 0.588 . . . . 1.92 109.485 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.773 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 46.9 t -74.71 130.16 39.0 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-N 115.02 -0.991 . . . . 1.23 110.17 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.8 m-85 -55.44 -56.21 22.78 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.149 0.906 . . . . 1.05 110.799 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -94.6 24.78 4.37 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 115.61 -0.723 . . . . 1.55 111.964 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 22.9 t70 -139.37 -60.57 0.56 Allowed 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 119.908 -0.717 . . . . 1.29 112.341 178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -96.73 -34.53 11.31 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 120.054 -0.658 . . . . 1.71 109.784 -171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.4 mt -75.54 -60.75 2.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 115.45 -0.796 . . . . 0.89 110.481 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 66.29 101.27 0.04 OUTLIER 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 124.895 1.372 . . . . 2.15 108.9 -173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.03 67.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.96 0 CA-C-O 122.25 1.024 . . . . 1.42 110.236 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 40' ' ' SER . 9.3 t70 71.32 -39.63 0.45 Allowed 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 114.128 -1.396 . . . . 1.17 113.143 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.597 ' O ' ' HG3' ' A' ' 43' ' ' MET . 46.1 t 90.77 -49.72 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 125.833 1.653 . . . . 0.97 112.466 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -86.92 -33.53 19.68 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 118.941 -1.104 . . . . 1.04 111.087 178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.1 m -76.3 -9.32 58.55 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.17 -0.923 . . . . 1.07 112.489 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' SER 0.27 1.1 ppp? -45.91 -29.31 1.35 Allowed 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 114.786 1.402 . . . . 1.39 114.786 -176.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 42.3 t -68.45 -25.62 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.724 0.773 . . . . 0.49 110.421 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.45 -28.79 59.43 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.703 -0.68 . . . . 0.69 109.716 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 18' ' ' ILE . 39.2 t -61.03 -48.13 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 171.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 ' H6A' ' A' ' 101' ' ' SOO . 36.1 t -51.68 -56.88 4.32 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.303 0 O-C-N 124.162 0.914 . . . . 0.42 109.38 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.9 t -46.43 -52.88 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.001 0.92 . . . . 0.76 112.076 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -72.24 -25.69 61.73 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.174 0.511 . . . . 0.34 111.403 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -74.63 -38.37 62.55 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 109.104 -0.702 . . . . 0.43 109.104 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.752 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.9 mt-10 -63.42 -34.19 77.19 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 115.74 -0.664 . . . . 1.92 109.525 176.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.1 tt0 -65.0 -41.3 95.51 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.645 -1.162 . . . . 2.49 109.915 175.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 HH12 ' CD ' ' A' ' 13' ' ' GLU . 13.0 tpt180 -74.18 -53.71 9.28 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.805 1.039 . . . . 2.92 113.805 -175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-85 -93.78 -11.81 30.48 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 120.323 -0.551 . . . . 0.49 110.684 -172.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 20.2 t70 57.61 68.58 0.83 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.178 -1.374 . . . . 1.96 108.406 -165.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 51' ' ' GLU . 10.1 p -113.69 161.08 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.151 0 CA-C-N 113.681 -1.6 . . . . 0.91 106.935 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -125.29 99.75 6.21 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 107.953 -1.128 . . . . 3.32 107.953 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.629 HD11 HG12 ' A' ' 76' ' ' ILE . 12.1 mt -133.92 98.04 14.84 Favored Pre-proline 0 C--N 1.314 -0.944 0 N-CA-C 109.543 -0.539 . . . . 0.55 109.543 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.5 Cg_endo -67.55 160.15 49.28 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.672 2.248 . . . . 0.72 111.89 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.93 -36.32 65.14 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.44 0.696 . . . . 1.18 112.833 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.27 -23.28 62.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.694 0.759 . . . . 2.0 111.14 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 21.9 t70 -87.64 -50.26 6.61 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 115.809 -0.632 . . . . 1.34 110.472 -178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 66' ' ' LEU . 7.6 p -63.63 -22.72 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.998 1.11 . . . . 0.57 113.998 -174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HA ' ' C42' ' A' ' 101' ' ' SOO . 12.5 ptmm? -59.76 -2.76 0.41 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.308 1.596 . . . . 2.42 115.308 -177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -115.92 12.45 15.75 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 122.095 -0.378 . . . . 1.25 111.38 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD12 HG23 ' A' ' 63' ' ' VAL . 74.8 mt -81.57 179.79 7.69 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 121.587 -0.696 . . . . 0.57 112.187 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -148.35 -79.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.218 0.533 . . . . 2.91 110.191 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.1 p -105.95 -177.05 3.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.786 -0.82 . . . . 0.35 108.786 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG11 HG12 ' A' ' 26' ' ' VAL 0.252 4.0 m -81.96 -11.11 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.693 0 C-N-CA 118.47 -1.292 . . . . 0.34 109.701 172.114 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.98 97.46 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 108.88 -1.688 . . . . 0.36 108.88 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 2.3 m-20 -71.5 -45.18 63.16 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 107.393 -1.336 . . . . 1.84 107.393 176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -57.08 -36.13 70.21 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 112.42 0.526 . . . . 0.25 112.42 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.451 ' HA ' HD13 ' A' ' 7' ' ' ILE . 99.7 m -59.77 -62.79 1.61 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 112.997 0.74 . . . . 0.29 112.997 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 0.2 OUTLIER -67.83 -22.96 65.12 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.925 0.869 . . . . 1.92 110.062 -175.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 71' ' ' ASP . 31.9 t80 -74.99 -53.29 9.2 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.36 -1.291 . . . . 0.94 109.5 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.629 HG12 HD11 ' A' ' 58' ' ' ILE . 78.5 mt -61.89 -37.38 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 115.575 -0.738 . . . . 0.36 110.383 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 73' ' ' THR . 93.8 mt -59.9 -36.63 77.37 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.234 0.334 . . . . 0.48 111.772 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -84.39 -21.52 30.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.353 0.596 . . . . 1.38 111.625 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -101.05 5.09 42.84 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.6 pt20 -108.05 172.68 6.69 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.025 -0.422 . . . . 1.19 110.656 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 N-CA-C 108.895 -0.78 . . . . 2.94 108.895 176.456 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.579 ' H6A' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 109.356 -0.609 . . . . 1.75 109.356 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.4 138.46 3.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.708 -0.849 . . . . 0.98 108.708 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 7' ' ' ILE . 71.0 p -79.9 176.67 9.52 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 117.933 0.333 . . . . 0.65 110.492 178.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -61.75 -40.75 96.22 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.161 -0.681 . . . . 1.22 109.161 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.92 -40.39 93.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.409 -0.814 . . . . 2.63 109.823 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.23 -41.22 70.45 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.91 111.225 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.758 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.0 mt -65.33 -62.28 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.545 -0.298 . . . . 0.31 111.229 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.6 t -57.14 -57.38 10.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 123.076 0.55 . . . . 0.38 111.551 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -31.53 72.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.725 0.298 . . . . 0.43 111.627 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.41 -41.41 58.52 Favored Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 111.055 -0.818 . . . . 0.32 111.055 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.35 -46.25 76.41 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 124.065 0.946 . . . . 0.81 111.128 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.51 -29.96 69.43 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.423 -0.808 . . . . 0.31 112.89 -177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 51.1 mt-10 -65.62 -48.93 70.58 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 109.643 -0.502 . . . . 1.77 109.643 178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 46' ' ' VAL . 2.1 mp -67.36 -44.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.311 -0.626 . . . . 0.42 109.311 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG12 ' HB ' ' A' ' 21' ' ' ILE . 77.9 t -59.03 -33.12 49.26 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.384 0.611 . . . . 0.26 111.527 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -71.28 -27.56 63.52 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.731 -0.668 . . . . 0.49 110.451 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 24.8 mm-40 -81.31 -54.39 5.52 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.368 -0.604 . . . . 1.86 109.368 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.794 HG13 HG22 ' A' ' 46' ' ' VAL . 45.0 mm -58.27 -53.03 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 115.156 -0.929 . . . . 0.75 111.095 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.78 -48.94 2.9 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.0 0.429 . . . . 0.92 111.658 -176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.43 38.63 1.45 Allowed Glycine 0 C--N 1.301 -1.401 0 C-N-CA 119.988 -1.101 . . . . 0.73 111.219 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.624 HG21 HD22 ' A' ' 36' ' ' LEU . 47.4 mm -93.47 130.81 34.16 Favored Pre-proline 0 C--N 1.305 -1.349 0 N-CA-C 107.54 -1.282 . . . . 0.53 107.54 178.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.634 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.3 Cg_exo -41.14 138.04 1.91 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 124.238 3.292 . . . . 0.44 113.667 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.643 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.8 m -65.42 -2.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 N-CA-C 115.888 1.81 . . . . 0.64 115.888 -173.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 24.2 tt0 -122.51 -1.52 9.06 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-O 122.072 0.939 . . . . 2.19 108.64 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.634 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 27.9 t70 -89.33 -15.81 32.55 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.786 -0.643 . . . . 0.62 111.078 -173.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.562 HG12 HG11 ' A' ' 69' ' ' VAL . 33.3 t -90.41 65.58 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 N-CA-C 106.593 -1.632 . . . . 0.63 106.593 177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -105.05 168.02 9.33 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 114.433 -1.258 . . . . 2.58 111.775 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -48.19 -36.03 12.9 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.281 1.586 . . . . 0.84 115.281 -172.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 19.02 3.2 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 112.564 0.579 . . . . 2.39 112.564 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 18.9 mmmt -125.47 133.7 52.32 Favored 'General case' 0 C--O 1.252 1.19 0 O-C-N 121.903 -0.498 . . . . 1.92 110.202 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.656 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 25.7 t -96.97 137.97 35.23 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 115.691 -0.686 . . . . 1.23 110.602 -178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 84.6 m-85 -57.75 -76.29 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.97 0.794 . . . . 1.05 111.742 177.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.9 p -86.98 60.99 6.54 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.392 0.615 . . . . 1.55 111.787 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.4 t70 -170.2 -52.91 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.456 -0.793 . . . . 1.29 110.652 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -105.75 -52.71 2.77 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.596 -0.441 . . . . 1.71 109.949 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD22 HG21 ' A' ' 21' ' ' ILE . 74.0 mt -70.88 -54.72 10.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.434 -0.803 . . . . 0.89 111.765 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 62.65 87.83 0.1 Allowed 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 122.4 1.095 . . . . 2.15 111.4 -173.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 HG21 ' A' ' 46' ' ' VAL . 5.2 t -98.87 45.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-N 114.505 -1.225 . . . . 1.42 108.474 -174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 27.0 t70 64.04 16.65 10.1 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 114.451 -1.25 . . . . 1.17 110.336 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 p 52.59 -76.43 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.709 2.404 . . . . 0.97 114.767 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 42' ' ' SER . 2.2 pp -65.76 -25.48 67.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.375 0.607 . . . . 1.04 112.135 -177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 74.3 m -75.61 -11.62 60.05 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.475 -0.784 . . . . 1.07 112.182 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.581 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.42 -25.38 64.28 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 111.885 0.328 . . . . 1.39 111.885 -178.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 48' ' ' VAL . 93.3 t -63.7 -34.21 66.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 121.077 0.465 . . . . 0.49 110.348 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.26 -35.67 68.84 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.077 -0.712 . . . . 0.69 109.077 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.794 HG22 HG13 ' A' ' 18' ' ' ILE . 48.6 t -54.42 -51.87 45.1 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 N-CA-C 108.207 -1.034 . . . . 0.81 108.207 171.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 43' ' ' MET . 46.9 t -50.77 -58.01 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.902 0.881 . . . . 0.42 110.611 177.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.4 t -51.61 -46.84 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.148 0.579 . . . . 0.76 111.202 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.17 -25.42 59.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.086 -0.506 . . . . 0.34 111.235 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.59 -34.16 67.22 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.767 -0.827 . . . . 0.43 108.767 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -65.94 -31.4 72.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.017 -0.734 . . . . 1.92 109.017 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.19 -38.95 65.95 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 115.43 -0.804 . . . . 2.49 109.678 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -53.06 23.87 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.676 -0.693 . . . . 2.92 111.757 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.1 m-85 -99.72 -9.01 23.56 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 112.247 0.462 . . . . 0.49 112.247 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.8 t70 66.68 26.44 9.63 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-O 122.938 1.351 . . . . 1.96 108.894 -172.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.8 p -79.05 170.23 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 N-CA-C 108.368 -0.975 . . . . 0.91 108.368 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' H ' HG22 ' A' ' 56' ' ' VAL . 3.1 mppt? -130.16 104.76 7.5 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.797 -0.445 . . . . 3.32 109.797 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.606 HD11 HG12 ' A' ' 76' ' ' ILE . 6.0 mt -144.95 102.83 4.46 Favored Pre-proline 0 C--N 1.313 -0.987 0 N-CA-C 109.423 -0.584 . . . . 0.55 109.423 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 42.7 Cg_endo -69.84 166.4 27.81 Favored 'Trans proline' 0 C--O 1.251 1.138 0 C-N-CA 122.282 1.988 . . . . 0.72 111.233 175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.2 p30 -64.16 -35.43 80.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.343 0.497 . . . . 1.18 112.343 -176.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.11 -31.22 72.33 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.3 0.571 . . . . 2.0 110.966 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 17.9 t70 -83.4 -44.34 14.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.528 -0.76 . . . . 1.34 110.351 -175.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG12 ' HA ' ' A' ' 60' ' ' ASP . 14.7 p -63.33 -21.7 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 N-CA-C 113.174 0.805 . . . . 0.57 113.174 -176.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 57.6 mtpt -56.54 -6.44 0.3 Allowed 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.521 0.934 . . . . 2.42 113.521 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -103.14 13.98 32.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 123.231 0.612 . . . . 1.25 111.788 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 75' ' ' TYR . 24.4 mt -98.1 170.38 8.95 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.301 -0.56 . . . . 0.57 111.106 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 44.7 tttm -141.35 -70.55 0.36 Allowed 'General case' 0 N--CA 1.432 -1.36 0 CA-C-O 121.453 0.644 . . . . 2.91 110.049 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -105.82 -173.56 2.33 Favored 'General case' 0 C--O 1.249 1.032 0 N-CA-C 108.416 -0.957 . . . . 0.35 108.416 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 10.1 m -84.07 -11.72 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 C-N-CA 118.756 -1.178 . . . . 0.34 109.601 172.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -66.38 -44.7 89.88 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 107.129 -2.388 . . . . 0.36 107.129 175.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 5.3 m-20 -58.21 -56.99 14.98 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 113.826 -1.187 . . . . 1.84 108.405 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.9 -48.51 67.15 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 114.901 -1.045 . . . . 0.25 112.795 -177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.742 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.9 m -54.6 -59.18 5.05 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 122.777 0.431 . . . . 0.29 111.196 -178.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -63.84 -33.93 76.8 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.181 0.515 . . . . 1.92 110.723 -177.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 39.3 t80 -70.42 -39.15 74.58 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 115.461 -0.791 . . . . 0.94 109.81 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG12 HD11 ' A' ' 58' ' ' ILE . 77.6 mt -70.77 -38.62 73.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.496 -0.775 . . . . 0.36 109.924 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 74' ' ' LYS . 93.8 mt -61.55 -42.08 98.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.851 0.834 . . . . 0.48 109.066 174.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.03 -46.75 86.08 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 114.774 -1.103 . . . . 1.38 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -82.83 5.03 23.01 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 114.474 1.287 . . . . 1.29 114.474 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 76.0 mm-40 -63.4 139.88 58.82 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 109.564 -0.532 . . . . 1.19 109.564 173.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.409 0 N-CA-C 107.358 -1.349 . . . . 2.94 107.358 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.581 ' C2 ' ' HG3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.708 -0.478 . . . . 1.75 109.708 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.21 -179.64 5.98 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.909 -0.775 . . . . 0.98 108.909 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.7 p -118.36 176.25 5.32 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 122.834 0.454 . . . . 0.65 110.182 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -61.66 -37.56 84.52 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.472 0.709 . . . . 1.22 110.02 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.16 -34.08 76.85 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.4 -0.818 . . . . 2.63 110.959 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -80.3 -39.09 29.47 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.883 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.669 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 86.3 mt -66.25 -60.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.655 -0.702 . . . . 0.31 111.22 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.98 -61.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 123.224 0.609 . . . . 0.38 111.345 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -32.87 72.17 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 112.235 0.457 . . . . 0.43 112.235 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.47 -43.65 36.57 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 112.181 -0.368 . . . . 0.32 112.181 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 mt -53.6 -45.12 69.93 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 123.425 0.69 . . . . 0.81 112.034 178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.83 -29.65 65.12 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 123.934 0.771 . . . . 0.31 112.854 -177.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 38.9 mt-10 -67.12 -53.6 29.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.442 -0.577 . . . . 1.77 109.442 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.6 -40.63 88.59 Favored 'Isoleucine or valine' 0 C--O 1.248 0.989 0 CA-C-N 115.688 -0.687 . . . . 0.42 109.801 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.835 -0.62 . . . . 0.26 110.335 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.6 -30.8 71.57 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 116.247 -0.433 . . . . 0.49 111.506 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 5.3 mm-40 -74.03 -62.93 1.34 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.783 0.801 . . . . 1.86 110.526 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -78.04 -48.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 CA-C-N 114.632 -1.167 . . . . 0.75 112.84 -172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.57 -38.1 14.22 Favored 'General case' 0 C--N 1.312 -1.031 0 O-C-N 122.16 -0.338 . . . . 0.92 111.852 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.89 32.8 7.34 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 121.289 -0.481 . . . . 0.73 112.205 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.0 mm -104.67 134.09 19.84 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 108.713 -0.847 . . . . 0.53 108.713 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.36 142.08 0.43 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 124.843 3.695 . . . . 0.44 114.507 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.723 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.5 m -79.09 21.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.78 0.832 . . . . 0.64 112.164 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -139.73 3.79 2.08 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 108.711 -0.848 . . . . 2.19 108.711 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -111.08 -11.17 14.3 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.367 -0.833 . . . . 0.62 112.057 -169.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 HD22 ' A' ' 36' ' ' LEU . 47.1 t -90.54 73.66 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 N-CA-C 106.519 -1.66 . . . . 0.63 106.519 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 69' ' ' VAL . 28.2 mtpp -103.64 168.34 9.21 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.957 -1.474 . . . . 2.58 111.142 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' A' ' 70' ' ' GLY . 81.1 mt -43.68 -52.52 6.41 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 114.938 1.458 . . . . 0.84 114.938 -175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -103.48 65.46 0.84 Allowed 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 118.913 -1.115 . . . . 2.39 111.329 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -135.23 127.89 30.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 106.172 -1.788 . . . . 1.92 106.172 174.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 22.8 t -89.68 137.92 31.92 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 121.14 0.495 . . . . 1.23 110.819 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.0 m-85 -72.92 158.07 36.21 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 106.453 -1.684 . . . . 1.05 106.453 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.567 ' H ' HG23 ' A' ' 38' ' ' VAL . 42.3 p 51.67 25.05 2.64 Favored 'General case' 0 C--N 1.293 -1.891 0 C-N-CA 123.676 0.791 . . . . 1.55 112.932 -177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 19.9 m-20 -144.98 -74.96 0.23 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 108.879 -0.785 . . . . 1.29 108.879 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.5 m-20 -78.17 -54.2 6.51 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 122.498 1.142 . . . . 1.71 108.062 178.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 HG22 ' A' ' 26' ' ' VAL . 22.2 mt -87.82 7.43 30.59 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 112.857 -1.974 . . . . 0.89 110.983 -173.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 0.01 99.19 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 O-C-N 126.246 2.216 . . . . 2.15 112.272 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' H ' ' A' ' 33' ' ' THR . 3.3 t -100.09 39.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 115.551 -0.75 . . . . 1.42 110.28 -163.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 t70 64.18 -0.26 0.89 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 124.739 1.216 . . . . 1.17 112.529 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' ' HG3' ' A' ' 43' ' ' MET . 53.9 p 63.24 -46.37 0.22 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 128.205 2.602 . . . . 0.97 114.747 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -87.35 -46.27 9.82 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.89 0.7 . . . . 1.04 112.89 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.616 ' N ' HD12 ' A' ' 41' ' ' LEU . 55.2 p -74.25 -11.22 60.22 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 113.139 0.792 . . . . 1.07 113.139 -175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.674 ' SD ' ' H37' ' A' ' 101' ' ' SOO . 1.7 ppp? -47.46 -28.62 2.24 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 114.031 1.123 . . . . 1.39 114.031 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 48' ' ' VAL . 88.0 t -64.08 -33.92 65.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-O 120.944 0.402 . . . . 0.49 110.09 177.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.78 -39.85 84.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 109.099 -0.704 . . . . 0.69 109.099 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.41 -48.78 79.44 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.47 -0.567 . . . . 0.81 109.47 171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 41.6 t -54.46 -55.27 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 123.405 0.44 . . . . 0.42 110.496 177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 44' ' ' VAL . 90.2 t -56.41 -41.31 71.47 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.295 0.569 . . . . 0.76 111.551 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.33 -26.35 60.1 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 116.222 -0.444 . . . . 0.34 110.297 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.17 -35.95 66.5 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.789 -0.819 . . . . 0.43 108.789 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 50.0 mt-10 -58.56 -43.56 89.39 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.402 -0.962 . . . . 1.92 108.402 174.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.3 tt0 -63.53 -50.84 67.99 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 114.486 -1.234 . . . . 2.49 110.346 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -59.82 -43.38 94.56 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 125.07 1.348 . . . . 2.92 113.857 -175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.669 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.1 m-85 -108.4 3.6 23.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 120.55 -0.46 . . . . 0.49 111.107 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 67.52 12.38 8.86 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 122.095 0.95 . . . . 1.96 110.46 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 80' ' ' GLN . 8.6 p -79.97 178.72 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.552 -0.749 . . . . 0.91 109.258 -176.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.632 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.2 mptt -142.05 119.27 11.44 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 106.344 -1.724 . . . . 3.32 106.344 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.811 HD11 HG12 ' A' ' 76' ' ' ILE . 17.1 mt -143.18 109.28 5.38 Favored Pre-proline 0 C--N 1.297 -1.694 0 N-CA-C 107.885 -1.154 . . . . 0.55 107.885 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 163.38 37.6 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.308 2.005 . . . . 0.72 111.107 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.2 p-10 -67.24 -16.86 64.54 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 112.273 0.471 . . . . 1.18 112.273 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.69 -38.59 83.89 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.655 0.74 . . . . 2.0 109.138 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.36 -46.86 37.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 114.76 -1.109 . . . . 1.34 112.366 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.701 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.2 p -58.19 -23.12 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 112.819 0.674 . . . . 0.57 112.819 -174.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.5 mttm -60.95 -16.67 45.2 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 121.001 0.429 . . . . 2.42 111.221 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -100.88 9.15 42.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.204 -0.453 . . . . 1.25 111.373 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD12 HG23 ' A' ' 63' ' ' VAL . 59.5 mt -94.04 162.05 14.04 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 122.129 -0.357 . . . . 0.57 111.343 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.76 -64.7 0.29 Allowed 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 116.263 -0.426 . . . . 2.91 110.493 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.2 p -112.3 174.72 5.75 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.425 -0.954 . . . . 0.35 108.425 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.585 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.2 m -80.36 -12.22 12.86 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 C-N-CA 118.614 -1.234 . . . . 0.34 110.326 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.39 -46.88 84.11 Favored Glycine 0 N--CA 1.435 -1.399 0 N-CA-C 109.811 -1.316 . . . . 0.36 109.811 176.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.28 -41.35 70.13 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.529 -0.915 . . . . 1.84 108.529 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.72 -40.78 84.73 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-N 115.411 -0.813 . . . . 0.25 112.066 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 50.5 m -54.94 -56.87 14.85 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.608 0.363 . . . . 0.29 110.12 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -68.1 -29.8 68.81 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.169 0.509 . . . . 1.92 110.299 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 22.9 t80 -65.68 -52.04 54.66 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.869 -1.06 . . . . 0.94 108.501 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.811 HG12 HD11 ' A' ' 58' ' ' ILE . 80.0 mt -59.78 -46.79 93.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 115.2 -0.909 . . . . 0.36 109.909 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 73' ' ' THR . 88.2 mt -52.97 -38.28 61.99 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.756 0.66 . . . . 0.48 112.226 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.76 -27.96 23.31 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.218 0.532 . . . . 1.38 111.347 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -89.36 4.85 47.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.06 -0.518 . . . . 1.29 112.359 -175.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.3 pt20 -114.0 175.92 5.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.967 0.413 . . . . 1.19 110.997 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.614 0 N-CA-C 106.749 -1.574 . . . . 2.94 106.749 175.223 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.674 ' H37' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 109.579 -0.526 . . . . 1.75 109.579 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CB ' ' A' ' 6' ' ' GLU . . . -168.75 142.18 2.97 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 108.219 -1.03 . . . . 0.98 108.219 -176.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 7' ' ' ILE . 22.4 p -84.94 -174.19 5.14 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.467 -0.893 . . . . 0.65 109.508 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -58.37 -39.24 79.06 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 123.129 0.571 . . . . 1.22 111.228 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.33 -37.89 88.46 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 112.724 0.638 . . . . 2.63 112.724 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -70.49 -41.06 73.17 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.571 -0.529 . . . . 1.91 109.571 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 88.9 mt -58.97 -64.82 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.047 0 O-C-N 124.103 0.877 . . . . 0.31 110.521 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.3 t -56.16 -63.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 C-N-CA 122.965 0.506 . . . . 0.38 111.884 -177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -63.53 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.004 0.372 . . . . 0.43 112.004 -176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.59 -35.3 47.09 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 121.105 -0.569 . . . . 0.32 111.87 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.623 HD21 ' H7 ' ' A' ' 101' ' ' SOO . 0.4 OUTLIER -62.07 -46.11 90.57 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.718 -0.845 . . . . 0.81 108.718 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.11 -32.01 69.44 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.944 -1.026 . . . . 0.31 112.345 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.4 mt-10 -61.98 -45.59 92.96 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.992 0.425 . . . . 1.77 109.862 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 mp -77.15 -39.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.877 -0.601 . . . . 0.42 110.127 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 79.0 t -60.63 -34.07 57.21 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.278 0.561 . . . . 0.26 111.0 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 3.0 t-20 -62.5 -32.2 73.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 123.806 0.842 . . . . 0.49 109.656 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -81.12 -57.76 3.37 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.332 -0.849 . . . . 1.86 110.704 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 46' ' ' VAL . 46.0 mm -63.66 -53.4 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.341 -0.845 . . . . 0.75 111.428 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.77 -27.92 10.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -172.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 90.08 28.84 16.64 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.146 -1.026 . . . . 0.73 111.707 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.2 mm -90.37 131.99 36.83 Favored Pre-proline 0 C--N 1.304 -1.383 0 N-CA-C 107.131 -1.433 . . . . 0.53 107.131 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.8 Cg_exo -49.27 145.83 14.5 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 123.604 2.869 . . . . 0.44 113.875 -177.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.769 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 35.5 m -72.66 -1.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 113.653 0.983 . . . . 0.64 113.653 -175.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -122.53 14.47 10.26 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.78 -0.822 . . . . 2.19 108.78 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 34.9 t70 -114.15 -17.04 11.99 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.655 -0.702 . . . . 0.62 112.118 -176.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG12 HG11 ' A' ' 69' ' ' VAL . 22.6 t -89.94 67.83 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 N-CA-C 106.607 -1.627 . . . . 0.63 106.607 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -99.72 169.03 9.54 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 114.349 -1.296 . . . . 2.58 110.388 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD22 ' HA2' ' A' ' 70' ' ' GLY . 88.7 mt -45.43 -47.24 13.75 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.189 1.181 . . . . 0.84 114.189 -174.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -79.84 3.5 19.46 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 112.794 0.664 . . . . 2.39 112.794 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.944 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -102.84 120.15 40.1 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 120.498 -1.376 . . . . 1.92 111.887 -174.019 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.3 t -84.1 135.31 34.45 Favored 'General case' 0 C--O 1.254 1.304 0 CA-C-N 115.058 -0.974 . . . . 1.23 110.904 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 80.9 m-85 -61.2 -71.99 0.13 Allowed 'General case' 0 CA--C 1.503 -0.829 0 O-C-N 124.31 1.006 . . . . 1.05 109.91 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 m -94.65 65.34 3.09 Favored 'General case' 0 N--CA 1.405 -2.697 0 CA-C-O 121.91 0.862 . . . . 1.55 110.028 -173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -171.94 -57.62 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 114.278 -1.328 . . . . 1.29 110.153 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.35 -50.42 3.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.137 0.494 . . . . 1.71 111.427 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.2 mt -76.62 -44.68 33.18 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.568 -0.742 . . . . 0.89 110.832 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 67.75 100.28 0.05 Allowed 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 124.744 1.218 . . . . 2.15 110.141 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 9.4 t -109.64 31.39 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 122.792 1.282 . . . . 1.42 108.208 -174.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.689 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 25.4 t70 62.75 14.84 7.62 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.597 -1.638 . . . . 1.17 111.37 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.686 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.9 p 53.53 -73.35 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.014 2.526 . . . . 0.97 114.887 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' H38' ' A' ' 101' ' ' SOO . 3.0 pp -63.63 -30.79 71.85 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 121.406 0.622 . . . . 1.04 110.872 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.689 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 62.2 m -76.67 -12.35 59.99 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-N 115.259 -0.882 . . . . 1.07 112.302 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.686 ' HG3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -65.18 -22.72 66.94 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 119.367 -0.933 . . . . 1.39 110.226 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 48' ' ' VAL . 92.6 t -62.29 -28.56 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 121.614 0.721 . . . . 0.49 109.846 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.19 -26.77 59.28 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.31 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HG11 ' A' ' 38' ' ' VAL . 59.1 t -65.82 -51.4 62.04 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 N-CA-C 107.476 -1.305 . . . . 0.81 107.476 173.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG22 ' H6A' ' A' ' 101' ' ' SOO . 60.5 t -44.4 -53.72 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 O-C-N 124.525 1.141 . . . . 0.42 111.084 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 44' ' ' VAL . 42.2 t -47.34 -59.37 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 123.839 0.856 . . . . 0.76 111.609 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.32 -23.03 54.28 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.885 -0.598 . . . . 0.34 111.229 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.48 68.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.642 -0.873 . . . . 0.43 108.642 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 46.1 mt-10 -59.08 -40.05 84.01 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.227 0.537 . . . . 1.92 109.663 174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.42 -22.81 63.65 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 114.576 -1.193 . . . . 2.49 111.074 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -82.69 -41.48 19.28 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.828 0.451 . . . . 2.92 111.31 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 6.1 m-85 -104.81 -12.92 16.05 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.262 0.553 . . . . 0.49 111.007 -173.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.2 t0 59.33 73.48 0.48 Allowed 'General case' 0 C--O 1.254 1.317 0 CA-C-O 123.181 1.467 . . . . 1.96 108.335 -168.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.989 HG11 HG23 ' A' ' 76' ' ' ILE . 11.7 m -122.08 172.89 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.504 0 CA-C-N 112.762 -2.017 . . . . 0.91 109.987 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.8 mptt -127.69 95.7 4.31 Favored 'General case' 0 C--N 1.274 -2.715 0 O-C-N 124.558 1.162 . . . . 3.32 107.879 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.572 HD11 HG12 ' A' ' 76' ' ' ILE . 57.8 mt -124.87 116.61 26.17 Favored Pre-proline 0 C--N 1.298 -1.638 0 CA-C-N 116.125 -0.489 . . . . 0.55 111.401 -174.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -79.41 135.72 12.05 Favored 'Trans proline' 0 N--CA 1.442 -1.558 0 C-N-CA 121.981 1.787 . . . . 0.72 109.967 173.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.5 p-10 -62.56 -22.98 66.75 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.943 1.09 . . . . 1.18 113.943 -174.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 24.7 t70 -79.0 -28.25 43.41 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 118.835 -1.146 . . . . 2.0 110.443 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' OD1' ' HE1' ' A' ' 75' ' ' TYR . 8.1 t70 -82.95 -29.44 29.08 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 115.708 -0.678 . . . . 1.34 109.889 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.6 p -72.0 -22.41 21.24 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 CA-C-O 121.367 0.603 . . . . 0.57 110.604 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 50.4 mtpt -57.77 -14.61 6.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.96 0.904 . . . . 2.42 112.359 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -92.49 1.62 57.14 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 122.992 0.517 . . . . 1.25 111.154 -173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 mt -84.79 175.61 9.05 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 121.825 0.821 . . . . 0.57 112.946 -174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -134.39 -81.06 0.45 Allowed 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 115.286 -0.87 . . . . 2.91 109.695 176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.4 p -98.92 -179.07 4.15 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 109.153 -0.684 . . . . 0.35 109.153 -177.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG11 HG12 ' A' ' 26' ' ' VAL . 3.2 m -81.5 -12.02 12.49 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.057 0 C-N-CA 117.79 -1.564 . . . . 0.34 109.254 171.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.561 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -69.11 -46.09 59.75 Favored Glycine 0 CA--C 1.484 -1.882 0 N-CA-C 108.064 -2.014 . . . . 0.36 108.064 174.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.36 -41.14 96.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.46 -0.87 . . . . 1.84 108.744 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -66.61 -32.17 73.33 Favored 'General case' 0 C--O 1.195 -1.772 0 CA-C-N 115.252 -0.885 . . . . 0.25 112.498 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.582 ' HA ' HG21 ' A' ' 7' ' ' ILE . 52.2 m -59.87 -56.78 17.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 118.002 0.365 . . . . 0.29 111.1 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -56.57 -41.49 77.0 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 121.684 0.755 . . . . 1.92 109.51 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' OH ' HG23 ' A' ' 58' ' ' ILE . 86.1 t80 -59.05 -51.67 69.06 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.195 -1.366 . . . . 0.94 110.736 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.989 HG23 HG11 ' A' ' 56' ' ' VAL . 79.8 mt -67.3 -31.21 51.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-N 115.233 -0.894 . . . . 0.36 111.149 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 73' ' ' THR . 94.9 mt -66.51 -36.45 82.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.302 0.572 . . . . 0.48 110.78 176.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -77.49 -34.78 54.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.697 0.761 . . . . 1.38 110.328 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -85.91 5.85 31.13 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.43 1.271 . . . . 1.29 114.43 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.817 ' HB3' HG12 ' A' ' 56' ' ' VAL . 3.1 pt20 -105.27 150.33 25.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 113.376 0.88 . . . . 1.19 113.376 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.324 0 N-CA-C 105.4 -2.074 . . . . 2.94 105.4 175.137 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.688 ' H38' ' HA ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.268 0 N-CA-C 109.363 -0.606 . . . . 1.75 109.363 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.91 133.1 2.77 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 108.481 -0.933 . . . . 0.98 108.481 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 7' ' ' ILE . 58.3 p -78.11 -176.97 4.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.652 0.595 . . . . 0.65 111.23 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -48.63 80.91 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.363 -0.606 . . . . 1.22 109.363 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.42 -24.94 67.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.689 -0.687 . . . . 2.63 111.097 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.88 -39.39 14.84 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 116.343 -0.39 . . . . 1.91 110.722 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.766 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 87.0 mt -64.42 -64.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.283 0 C-N-CA 122.978 0.511 . . . . 0.31 110.321 177.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.56 -62.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 C-N-CA 123.276 0.63 . . . . 0.38 111.296 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.89 -27.8 69.4 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.921 -0.582 . . . . 0.43 112.227 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -84.52 -31.79 23.77 Favored Glycine 0 CA--C 1.506 -0.502 0 C-N-CA 121.238 -0.506 . . . . 0.32 112.629 -177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -59.56 -44.62 93.23 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.116 -1.068 . . . . 0.81 108.116 178.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -60.51 -28.07 68.11 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.285 -1.325 . . . . 0.31 112.185 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 40.0 mt-10 -69.39 -46.66 66.36 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.64 -0.504 . . . . 1.77 109.64 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.13 -36.22 67.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.523 -0.547 . . . . 0.42 109.523 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.4 t -61.44 -33.49 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.468 0.651 . . . . 0.26 109.909 174.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -71.65 -31.47 66.86 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.591 -0.731 . . . . 0.49 110.097 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 27.7 mm-40 -74.86 -56.26 4.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.232 0.539 . . . . 1.86 110.122 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.86 -52.77 36.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 CA-C-N 115.525 -0.762 . . . . 0.75 110.892 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.01 -52.49 3.27 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.157 -0.474 . . . . 0.92 111.921 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.86 12.4 9.37 Favored Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.425 -0.893 . . . . 0.73 111.907 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.718 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.7 mm -74.65 132.24 78.45 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 109.148 -0.686 . . . . 0.53 109.148 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 81.8 Cg_exo -47.62 142.73 13.35 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 124.02 3.147 . . . . 0.44 114.067 -178.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.4 m -69.03 -17.48 21.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.149 -0.932 . . . . 0.64 113.341 -176.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.09 18.8 21.29 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.525 0.679 . . . . 2.19 110.085 175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.7 t70 -107.49 -27.95 10.1 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.807 -0.633 . . . . 0.62 112.0 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.785 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.1 t -91.0 78.22 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 N-CA-C 106.68 -1.6 . . . . 0.63 106.68 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -112.95 176.35 5.05 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.958 -1.019 . . . . 2.58 111.822 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 43.0 mt -51.21 -25.62 5.75 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 117.381 2.363 . . . . 0.84 117.381 -170.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -103.4 11.24 36.8 Favored 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 119.778 -0.769 . . . . 2.39 110.13 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 9.8 mmpt? -104.19 127.79 51.84 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 121.463 0.649 . . . . 1.92 111.087 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.788 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.6 m -90.69 132.51 35.75 Favored 'General case' 0 N--CA 1.412 -2.326 0 CA-C-N 114.631 -1.168 . . . . 1.23 108.694 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.7 m-85 -55.57 -71.7 0.08 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.126 0.489 . . . . 1.05 110.295 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 p -88.98 43.38 1.14 Allowed 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.627 -0.715 . . . . 1.55 112.639 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.3 t70 -162.19 -20.35 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 121.006 0.431 . . . . 1.29 111.893 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -126.93 -54.44 1.4 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.753 0.787 . . . . 1.71 110.112 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 32' ' ' PHE . 86.2 mt -69.56 -51.23 37.28 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 114.935 1.457 . . . . 0.89 114.935 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.22 84.11 0.15 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.756 0.788 . . . . 2.15 109.42 -171.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 7.6 t -108.49 39.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 N-CA-C 108.095 -1.076 . . . . 1.42 108.095 -175.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 71.93 -28.56 0.19 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 125.049 1.339 . . . . 1.17 113.547 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.5 ' O ' ' H37' ' A' ' 101' ' ' SOO 0.27 96.0 p 74.54 -44.41 0.55 Allowed 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 127.471 2.308 . . . . 0.97 114.421 177.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 pp -86.58 -38.41 17.17 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.737 -0.785 . . . . 1.04 111.24 178.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.544 ' N ' HD12 ' A' ' 41' ' ' LEU . 19.7 m -77.84 -11.63 59.91 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.32 0.581 . . . . 1.07 109.875 177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -55.8 -26.27 45.42 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.381 -0.827 . . . . 1.39 112.487 -178.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -66.33 -23.92 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 121.462 0.649 . . . . 0.49 110.076 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.97 -31.35 64.48 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.693 -0.685 . . . . 0.69 109.176 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.05 -54.2 34.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 N-CA-C 106.891 -1.522 . . . . 0.81 106.891 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 46.1 t -48.71 -54.81 4.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 CA-C-N 115.021 -0.991 . . . . 0.42 111.847 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -56.37 -39.2 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.789 0.804 . . . . 0.76 112.443 -176.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.2 33.86 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.238 -0.892 . . . . 0.34 110.563 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.0 -34.95 78.86 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.95 -0.759 . . . . 0.43 108.95 175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 51.2 mt-10 -57.79 -42.31 83.88 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.774 -0.648 . . . . 1.92 109.348 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.28 -50.1 61.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.269 -0.878 . . . . 2.49 110.029 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -56.61 -48.14 78.11 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 124.031 0.932 . . . . 2.92 112.975 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 13.0 m-85 -92.3 -7.9 46.68 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 120.589 -0.444 . . . . 0.49 110.767 -175.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.66 69.82 0.67 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.358 1.075 . . . . 1.96 108.608 -168.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.4 p -138.67 -178.22 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 113.452 -1.704 . . . . 0.91 107.249 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.66 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.17 120.88 11.18 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.342 -1.725 . . . . 3.32 106.342 -179.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.518 HD11 HG12 ' A' ' 76' ' ' ILE . 1.2 mt -144.86 102.46 4.51 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 109.09 -0.707 . . . . 0.55 109.09 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.27 163.65 25.6 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 123.048 2.499 . . . . 0.72 110.824 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.529 ' HA ' HG12 ' A' ' 63' ' ' VAL . 1.3 p-10 -62.13 -39.88 94.04 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.78 -0.575 . . . . 1.18 112.067 -174.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -68.12 -19.41 64.83 Favored 'General case' 0 CA--C 1.493 -1.229 0 C-N-CA 120.321 -0.551 . . . . 2.0 111.744 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.479 ' HB3' HG22 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -86.98 -44.39 11.65 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.812 -0.631 . . . . 1.34 110.293 -178.66 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.7 p -71.69 -28.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.74 0.645 . . . . 0.57 112.74 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 60' ' ' ASP . 15.0 ptpt -65.32 -3.2 3.79 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.806 0.669 . . . . 2.42 112.806 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -88.67 -3.83 58.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 1.25 109.787 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 63' ' ' VAL . 68.0 mt -91.87 134.89 34.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.011 0.434 . . . . 0.57 110.921 -177.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HE3' ' OG ' ' A' ' 31' ' ' SER . 38.2 tttp -104.83 -63.71 1.19 Allowed 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 109.07 -0.715 . . . . 2.91 109.07 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.788 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.0 p -104.49 179.73 4.19 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 109.399 -0.593 . . . . 0.35 109.399 -177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 28' ' ' LEU . 14.8 m -79.77 -11.28 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 C-N-CA 119.142 -1.023 . . . . 0.34 109.289 170.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.47 -40.84 86.37 Favored Glycine 0 N--CA 1.433 -1.501 0 N-CA-C 107.765 -2.134 . . . . 0.36 107.765 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.78 -52.38 64.45 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 108.301 -1.0 . . . . 1.84 108.301 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -54.97 -51.55 65.84 Favored 'General case' 0 C--O 1.206 -1.232 0 CA-C-N 114.722 -1.126 . . . . 0.25 112.893 -177.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.534 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.2 m -50.62 -58.81 4.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.395 0.678 . . . . 0.29 111.654 -177.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.61 -35.89 81.01 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.302 0.573 . . . . 1.92 110.448 -175.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -71.36 -49.56 41.11 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.455 -1.248 . . . . 0.94 109.91 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD11 ' A' ' 58' ' ' ILE . 85.3 mt -62.55 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.715 -0.675 . . . . 0.36 109.827 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.7 mt -56.41 -38.17 71.17 Favored 'General case' 0 C--O 1.223 -0.319 0 O-C-N 123.483 0.489 . . . . 0.48 111.993 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.12 -42.58 25.91 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.809 0.337 . . . . 1.38 111.688 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -78.55 4.37 13.59 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.418 0.896 . . . . 1.29 113.418 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.0 pt20 -112.38 144.1 42.38 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 107.61 -1.256 . . . . 1.19 107.61 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 108.768 -0.827 . . . . 2.94 108.768 176.553 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.5 ' H37' ' O ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.413 -1.328 . . . . 1.75 107.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.85 164.9 36.09 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 120.414 -0.514 . . . . 0.98 110.043 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.669 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 68.4 p -123.16 -169.56 1.95 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.466 -1.679 . . . . 0.65 106.466 172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -46.02 76.1 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 118.959 0.8 . . . . 1.22 109.806 178.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 1.4 mp0 -61.3 -47.27 86.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.507 -0.77 . . . . 2.63 109.307 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.669 ' HB3' ' H ' ' A' ' 3' ' ' THR . 13.7 tp10 -62.44 -39.13 92.35 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.773 -1.103 . . . . 1.91 110.711 -176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.625 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 69.2 mt -68.87 -62.54 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.187 -2.224 0 N-CA-C 109.337 -0.616 . . . . 0.31 109.337 176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 26' ' ' VAL . 63.0 t -49.56 -56.45 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 123.638 0.586 . . . . 0.38 112.072 -176.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.14 -22.85 60.44 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 112.409 0.522 . . . . 0.43 112.409 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.73 -47.7 4.98 Favored Glycine 0 CA--C 1.487 -1.704 0 N-CA-C 110.126 -1.19 . . . . 0.32 110.126 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.8 tp -52.66 -44.13 65.96 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 126.07 1.748 . . . . 0.81 110.467 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -60.96 -28.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.494 -0.775 . . . . 0.31 112.976 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.04 -45.52 66.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.285 -0.635 . . . . 1.77 109.285 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 46' ' ' VAL . 2.8 mp -67.3 -40.41 84.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.565 0.698 . . . . 0.42 109.189 178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.71 HG12 ' HB ' ' A' ' 21' ' ' ILE . 66.3 t -60.7 -28.13 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 121.543 0.687 . . . . 0.26 110.892 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -79.27 -43.09 24.38 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.985 -0.552 . . . . 0.49 110.517 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.6 pt-20 -71.5 -40.55 70.09 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 112.026 0.38 . . . . 1.86 112.026 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 46' ' ' VAL . 40.4 mm -77.97 -53.9 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.833 -0.347 . . . . 0.75 110.339 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.38 -57.61 2.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.91 0.386 . . . . 0.92 111.37 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.74 39.08 0.62 Allowed Glycine 0 C--N 1.305 -1.176 0 C-N-CA 120.216 -0.993 . . . . 0.73 112.239 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.71 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.5 mm -104.03 133.65 20.13 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 106.716 -1.587 . . . . 0.53 106.716 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.723 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 91.2 Cg_exo -40.88 140.11 1.2 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.186 3.258 . . . . 0.44 115.146 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -72.71 20.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.862 1.265 . . . . 0.64 114.017 -175.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -156.35 13.61 0.3 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 109.138 -0.69 . . . . 2.19 109.138 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 28.6 t70 -104.12 -15.99 15.38 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.651 -172.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 69' ' ' VAL . 45.2 t -86.95 74.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 N-CA-C 106.599 -1.63 . . . . 0.63 106.599 -174.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -98.52 164.26 12.34 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.138 -1.392 . . . . 2.58 112.397 -170.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HA ' HG22 ' A' ' 69' ' ' VAL . 90.0 mt -42.54 -61.11 1.3 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 115.903 1.816 . . . . 0.84 115.903 -173.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.97 25.14 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.302 0.573 . . . . 2.39 111.776 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -104.71 122.68 46.18 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.234 -1.024 . . . . 1.92 108.234 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 16.7 m -81.93 135.66 35.37 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.261 -0.427 . . . . 1.23 111.036 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.8 m-85 -60.97 -49.96 75.34 Favored 'General case' 0 C--O 1.203 -1.37 0 N-CA-C 108.956 -0.757 . . . . 1.05 108.956 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.762 HG23 ' S1 ' ' A' ' 101' ' ' SOO . 0.8 OUTLIER -90.61 44.14 1.18 Allowed 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 112.996 0.739 . . . . 1.55 112.996 -177.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 16.6 t70 -167.44 -67.96 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.262 -0.575 . . . . 1.29 111.306 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -80.68 -49.28 11.42 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 121.696 0.76 . . . . 1.71 109.973 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 HG13 ' A' ' 26' ' ' VAL . 62.6 mt -79.69 -61.06 2.11 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 114.468 -1.242 . . . . 0.89 111.195 -174.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.55 93.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.507 1.123 . . . . 2.15 109.502 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG13 HG13 ' A' ' 15' ' ' VAL . 45.7 t -104.01 30.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 114.527 -1.215 . . . . 1.42 109.057 -167.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 47.34 85.89 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 123.274 1.511 . . . . 1.17 109.045 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.5 p -42.6 -32.01 0.52 Allowed 'General case' 1 C--N 1.24 -4.192 0 C-N-CA 127.692 2.397 . . . . 0.97 115.993 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -83.4 -36.54 24.21 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 120.158 -0.617 . . . . 1.04 111.575 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.596 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.1 p -84.25 -12.16 55.22 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.015 0.436 . . . . 1.07 111.12 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HG3' ' C2 ' ' A' ' 101' ' ' SOO . 15.6 tmm? -44.51 -43.49 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.876 0.87 . . . . 1.39 112.718 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -53.67 -31.34 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 CA-C-O 121.45 0.643 . . . . 0.49 111.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.09 -24.49 58.14 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.752 -0.658 . . . . 0.69 110.059 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' HG13 ' A' ' 18' ' ' ILE . 94.4 t -68.69 -53.06 29.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 N-CA-C 107.336 -1.357 . . . . 0.81 107.336 171.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 45.9 t -49.45 -54.38 6.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.761 0 C-N-CA 124.136 0.975 . . . . 0.42 112.101 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 9.1 p -56.25 -34.32 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-O 122.282 1.039 . . . . 0.76 112.391 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -82.49 -30.77 29.68 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-N 114.583 -1.189 . . . . 0.34 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.84 81.21 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.91 -0.774 . . . . 0.43 108.91 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 50.5 mt-10 -57.76 -46.62 84.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.086 -0.709 . . . . 1.92 109.086 174.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.7 tt0 -57.86 -42.42 84.48 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.876 -1.056 . . . . 2.49 110.316 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -68.1 -53.17 27.39 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 123.974 0.91 . . . . 2.92 113.082 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 27.4 m-85 -88.95 -3.97 58.58 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 112.114 0.413 . . . . 0.49 112.114 -172.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 66.92 23.13 9.97 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 124.351 1.032 . . . . 1.96 109.295 -173.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.654 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.4 p -96.4 -177.21 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.935 -1.03 . . . . 0.91 108.269 -177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.654 ' H ' HG22 ' A' ' 56' ' ' VAL . 71.5 mmtt -152.58 122.82 7.14 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 125.701 1.6 . . . . 3.32 106.788 175.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 55.6 mt -145.92 108.02 4.31 Favored Pre-proline 0 C--N 1.294 -1.824 0 N-CA-C 107.166 -1.42 . . . . 0.55 107.166 -178.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.07 161.02 47.55 Favored 'Trans proline' 0 C--O 1.254 1.311 0 C-N-CA 122.14 1.893 . . . . 0.72 111.546 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.602 ' HA ' HG12 ' A' ' 63' ' ' VAL . 9.7 p-10 -67.18 -14.68 63.13 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.306 0.484 . . . . 1.18 112.306 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.83 -52.61 19.33 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 109.595 -0.52 . . . . 2.0 109.595 171.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.59 -41.69 95.23 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.192 -0.913 . . . . 1.34 112.329 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.4 p -64.69 -23.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 113.544 0.942 . . . . 0.57 113.544 -174.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 65.3 mttp -60.48 -18.52 52.1 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 112.841 0.682 . . . . 2.42 112.841 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -90.54 6.05 45.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.25 -0.432 . . . . 1.25 112.136 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.923 0.712 . . . . 0.57 112.923 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -125.96 -66.21 0.95 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.411 -0.813 . . . . 2.91 109.632 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 70.6 p -112.74 -178.23 3.34 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.419 -0.956 . . . . 0.35 108.419 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 26' ' ' VAL . 1.9 m -83.83 -11.19 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 C-N-CA 118.803 -1.159 . . . . 0.34 109.093 174.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.89 -28.04 73.53 Favored Glycine 0 N--CA 1.437 -1.3 0 N-CA-C 109.227 -1.549 . . . . 0.36 109.227 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.64 -56.48 4.27 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 106.328 -1.73 . . . . 1.84 106.328 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -50.59 -45.18 57.16 Favored 'General case' 0 C--O 1.193 -1.899 0 N-CA-C 114.261 1.208 . . . . 0.25 114.261 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.447 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 92.3 m -56.69 -60.24 3.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 118.25 0.477 . . . . 0.29 110.429 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 3.3 mptp? -61.77 -34.39 75.78 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.964 -0.562 . . . . 1.92 109.744 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 30.2 t80 -64.28 -53.26 51.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 114.778 -1.101 . . . . 0.94 109.095 -178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 89.7 mt -61.94 -41.73 92.03 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 C-N-CA 122.987 0.515 . . . . 0.36 109.944 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 73' ' ' THR . 78.5 mt -63.39 -30.86 71.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.48 111.815 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -86.41 -25.66 25.15 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.443 0.64 . . . . 1.38 110.598 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.3 t-80 -94.32 -6.38 44.5 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.73 -0.668 . . . . 1.29 111.497 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.6 pt20 -96.52 125.7 41.19 Favored 'General case' 0 C--O 1.248 1.004 0 N-CA-C 112.595 0.591 . . . . 1.19 112.595 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 N-CA-C 107.176 -1.416 . . . . 2.94 107.176 176.652 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.762 ' S1 ' HG23 ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.242 0 N-CA-C 109.829 -0.434 . . . . 1.75 109.829 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -152.45 -169.92 3.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.556 -0.905 . . . . 0.98 108.556 -178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.6 p -118.93 -173.75 2.56 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 122.38 0.272 . . . . 0.65 110.573 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -65.54 -43.39 90.1 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.333 -0.988 . . . . 1.22 108.333 173.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -52.11 -55.77 18.74 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.267 -1.333 . . . . 2.63 110.747 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 9.0 mm-40 -59.93 -38.64 82.98 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 1.91 112.296 -178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.738 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 63.9 mt -69.53 -62.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.456 -0.338 . . . . 0.31 110.867 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.64 -55.26 25.02 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 112.033 0.382 . . . . 0.38 112.033 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -32.34 73.77 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.328 -0.233 . . . . 0.43 111.032 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.67 -49.56 36.0 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.015 -0.834 . . . . 0.32 111.015 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.09 -47.15 53.93 Favored 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 124.168 0.987 . . . . 0.81 113.121 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.48 -36.28 73.5 Favored 'General case' 0 CA--C 1.501 -0.932 0 O-C-N 123.575 0.547 . . . . 0.31 112.239 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 63.1 mt-10 -64.66 -42.61 95.29 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 123.279 0.362 . . . . 1.77 110.63 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.94 -46.29 68.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.5 -0.555 . . . . 0.42 109.5 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.0 t -55.92 -36.49 44.31 Favored 'Isoleucine or valine' 0 C--O 1.248 0.975 0 C-N-CA 123.821 0.849 . . . . 0.26 110.998 178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 12.9 t-20 -70.75 -24.79 62.68 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.459 -0.791 . . . . 0.49 111.331 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 8.8 mm-40 -83.03 -49.23 9.77 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.739 0.78 . . . . 1.86 109.392 178.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.533 HG13 HG22 ' A' ' 46' ' ' VAL . 50.7 mm -66.38 -52.84 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.125 . . . . 0.75 111.597 -176.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 -31.19 6.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.682 -0.407 . . . . 0.92 112.081 -175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 95.43 24.64 15.67 Favored Glycine 0 C--N 1.305 -1.177 0 C-N-CA 119.8 -1.191 . . . . 0.73 112.156 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.682 ' HB ' HG12 ' A' ' 15' ' ' VAL . 47.9 mm -80.74 134.34 53.94 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 107.801 -1.185 . . . . 0.53 107.801 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 77.3 Cg_exo -41.11 137.47 2.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.296 3.331 . . . . 0.44 113.836 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.75 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 24.8 m -71.56 16.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 N-CA-C 114.554 1.316 . . . . 0.64 114.554 -175.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.1 tt0 -137.88 5.7 2.62 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.189 -1.412 . . . . 2.19 107.189 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 32.8 t70 -102.24 2.21 36.82 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 121.27 -0.894 . . . . 0.62 112.985 -171.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.75 HG22 HG11 ' A' ' 69' ' ' VAL . 7.9 p -92.64 49.2 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.346 0 CA-C-O 123.703 1.716 . . . . 0.63 107.379 178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' HB2' ' HG3' ' A' ' 30' ' ' LYS . 50.7 mttp -63.49 152.27 38.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 113.213 -1.812 . . . . 2.58 110.614 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 69' ' ' VAL . 81.1 mt -49.28 -34.41 15.31 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 113.705 1.002 . . . . 0.84 113.705 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.6 6.89 45.65 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 112.893 0.701 . . . . 2.39 112.893 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 15.9 mmmt -101.1 122.74 44.13 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 122.059 -0.401 . . . . 1.92 110.312 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 39.7 t -80.86 130.53 35.09 Favored 'General case' 0 C--O 1.258 1.534 0 CA-C-N 115.959 -0.564 . . . . 1.23 110.33 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.727 ' HA ' HD12 ' A' ' 36' ' ' LEU . 91.2 m-85 -56.16 -71.38 0.09 Allowed 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.094 0.871 . . . . 1.05 110.714 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -86.6 48.79 1.69 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 115.338 -0.846 . . . . 1.55 112.357 -175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.9 t70 -157.84 -58.14 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 1.29 110.848 177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -96.83 -47.02 6.02 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.896 -0.722 . . . . 1.71 110.627 -176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.8 mt -68.96 -59.65 2.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.439 -0.801 . . . . 0.89 110.577 -177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 65.01 99.65 0.04 OUTLIER 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 124.932 1.395 . . . . 2.15 108.495 -171.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.33 58.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 123.383 1.563 . . . . 1.42 110.833 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.857 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.2 t70 71.8 -2.03 2.63 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 111.876 -2.42 . . . . 1.17 111.145 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' MET . 42.4 t 66.67 -65.17 0.21 Allowed 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.733 1.613 . . . . 0.97 114.171 173.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -81.19 -29.98 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.772 0.796 . . . . 1.04 110.76 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.857 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 32.8 t -76.05 -10.34 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.486 -1.234 . . . . 1.07 109.957 -178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -44.64 -34.92 2.37 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.032 0.933 . . . . 1.39 112.974 177.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' VAL . 71.4 t -66.34 -29.72 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 121.058 0.456 . . . . 0.49 111.46 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.03 -32.32 67.02 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.674 -0.491 . . . . 0.69 109.674 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 18' ' ' ILE . 33.8 t -58.37 -52.26 61.31 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 N-CA-C 107.187 -1.412 . . . . 0.81 107.187 174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.545 HG21 HG11 ' A' ' 63' ' ' VAL . 43.9 t -48.6 -60.25 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.012 0 O-C-N 124.644 1.215 . . . . 0.42 109.943 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 44' ' ' VAL . 97.7 t -48.0 -49.38 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.815 0.846 . . . . 0.76 112.315 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.35 58.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.834 0.35 . . . . 0.34 111.304 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.79 87.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.787 -0.819 . . . . 0.43 108.787 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.5 mt-10 -55.22 -49.83 70.98 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 109.242 -0.651 . . . . 1.92 109.242 175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -56.38 -47.47 78.84 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.294 0.996 . . . . 2.49 110.611 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 53' ' ' ARG . 9.5 tpt180 -60.07 -44.19 94.93 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.584 -0.735 . . . . 2.92 112.475 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.738 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 9.0 m-85 -96.67 -4.67 40.49 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.369 -0.532 . . . . 0.49 111.524 -174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 63.94 27.15 14.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.125 0.89 . . . . 1.96 108.716 -172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.4 p -91.82 173.72 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 115.885 -0.598 . . . . 0.91 109.754 -176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -138.52 108.04 6.19 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.639 -0.875 . . . . 3.32 108.639 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -143.36 107.89 5.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 109.061 -0.718 . . . . 0.55 109.061 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.601 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 34.5 Cg_endo -68.29 162.24 41.25 Favored 'Trans proline' 0 CA--C 1.552 1.393 0 C-N-CA 122.513 2.142 . . . . 0.72 112.31 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.9 p30 -63.34 -32.42 73.83 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 113.063 0.764 . . . . 1.18 113.063 -176.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.3 t70 -73.74 -23.6 59.77 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 121.359 0.6 . . . . 2.0 110.671 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.601 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 12.1 t70 -86.93 -38.85 16.3 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.194 -0.457 . . . . 1.34 109.839 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -66.2 -22.01 29.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 N-CA-C 112.499 0.555 . . . . 0.57 112.499 -175.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.518 ' HA ' ' H42' ' A' ' 101' ' ' SOO . 25.5 pttm -59.85 -5.83 1.08 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 113.761 1.023 . . . . 2.42 113.761 -176.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -92.84 -0.25 57.28 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 122.453 0.301 . . . . 1.25 110.991 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 63' ' ' VAL . 30.6 mt -81.47 170.77 15.53 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.655 -0.418 . . . . 0.57 110.302 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 75.4 tttt -146.4 -73.9 0.22 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.5 p -105.93 -176.07 2.97 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 107.62 -1.252 . . . . 0.35 107.62 178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.75 HG11 HG22 ' A' ' 26' ' ' VAL . 16.3 m -82.86 -11.28 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.937 0 C-N-CA 118.982 -1.087 . . . . 0.34 110.405 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 -36.35 78.65 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 108.154 -1.979 . . . . 0.36 108.154 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 9.9 m-20 -68.15 -54.3 19.0 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.675 -1.231 . . . . 1.84 107.675 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.08 -48.1 64.85 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.637 -1.165 . . . . 0.25 112.959 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.418 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.6 m -51.26 -62.36 1.66 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 122.497 0.319 . . . . 0.29 111.166 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -34.72 77.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.074 0.464 . . . . 1.92 111.676 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' CD1' HD21 ' A' ' 66' ' ' LEU . 41.7 t80 -72.16 -45.62 59.73 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 115.628 -0.715 . . . . 0.94 110.193 -175.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG22 HE21 ' A' ' 80' ' ' GLN . 81.2 mt -67.52 -40.93 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 CA-C-N 115.286 -0.87 . . . . 0.36 109.52 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.9 -41.65 92.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.088 0.471 . . . . 0.48 110.661 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.71 -31.72 71.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.318 -0.855 . . . . 1.38 111.138 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -88.53 -3.71 58.75 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.626 0.602 . . . . 1.29 112.626 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.581 HE21 HG22 ' A' ' 76' ' ' ILE . 54.5 mt-30 -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.29 0.848 . . . . 1.19 113.29 -177.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.236 0 N-CA-C 105.843 -1.91 . . . . 2.94 105.843 174.443 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.523 ' H4 ' ' CG ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 108.644 -0.873 . . . . 1.75 108.644 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . -116.69 -179.13 3.6 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.853 -0.425 . . . . 0.98 109.853 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.427 ' OG1' ' HG2' ' A' ' 6' ' ' GLU . 35.8 p -131.92 -168.8 2.09 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.797 -1.186 . . . . 0.65 107.797 176.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -37.04 65.16 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.539 -0.911 . . . . 1.22 108.539 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.17 -42.85 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 2.63 109.799 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 24.9 mm-40 -67.45 -46.74 72.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.318 -0.401 . . . . 1.91 111.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 73.6 mt -63.33 -64.1 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.25 0 CA-C-N 116.497 -0.319 . . . . 0.31 111.214 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.1 t -53.66 -56.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 123.44 0.696 . . . . 0.38 112.186 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.79 85.04 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 112.051 0.389 . . . . 0.43 112.051 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.71 -36.81 41.59 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 121.016 -0.611 . . . . 0.32 111.667 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD21 ' H8A' ' A' ' 101' ' ' SOO . 0.6 OUTLIER -55.91 -47.3 77.7 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 124.455 1.102 . . . . 0.81 108.884 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -59.27 -32.92 70.45 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.934 -1.03 . . . . 0.31 112.319 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 49.1 mt-10 -65.79 -47.97 73.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.063 -0.255 . . . . 1.77 110.472 178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.46 -38.8 81.35 Favored 'Isoleucine or valine' 0 C--O 1.245 0.856 0 CA-C-O 121.323 0.582 . . . . 0.42 109.578 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 30.4 t -56.99 -45.25 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.773 -0.649 . . . . 0.26 110.797 175.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.4 -33.74 74.19 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 116.273 -0.421 . . . . 0.49 111.115 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 13.2 mm-40 -69.87 -55.28 10.17 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.874 0.845 . . . . 1.86 110.117 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -81.32 -52.97 13.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 114.81 -1.086 . . . . 0.75 112.863 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 -30.85 14.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.13 0.49 . . . . 0.92 111.536 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.13 3.66 69.67 Favored Glycine 0 C--N 1.316 -0.582 0 C-N-CA 120.662 -0.78 . . . . 0.73 112.51 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' ' CG1' ' A' ' 15' ' ' VAL . 48.3 mm -71.2 131.28 87.05 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.441 -0.948 . . . . 0.53 108.441 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.434 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 96.2 Cg_exo -42.65 145.81 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 124.498 3.466 . . . . 0.44 114.227 -177.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 25.6 m -76.41 14.98 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -174.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.78 2.76 2.43 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 108.619 -0.882 . . . . 2.19 108.619 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 38.8 t70 -101.36 -4.68 26.54 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.663 0.744 . . . . 0.62 111.189 -172.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG11 ' A' ' 69' ' ' VAL . 40.2 t -94.91 65.09 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 106.118 -1.808 . . . . 0.63 106.118 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 59.5 mttp -84.69 163.01 19.48 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.497 -1.683 . . . . 2.58 109.724 -176.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 3.4 mm? -51.19 -38.12 50.51 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.267 1.027 . . . . 0.84 112.104 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.36 13.27 13.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.299 -0.864 . . . . 2.39 112.691 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 26.8 mmmt -108.54 119.92 40.93 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.783 -0.821 . . . . 1.92 108.783 -177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 31.1 t -82.6 131.25 35.21 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 109.333 -0.617 . . . . 1.23 109.333 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.62 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.7 m-85 -57.3 -71.11 0.11 Allowed 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 124.034 0.934 . . . . 1.05 110.2 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.5 m -93.95 68.28 3.8 Favored 'General case' 0 N--CA 1.4 -2.975 0 CA-C-N 114.907 -1.042 . . . . 1.55 110.258 -175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.1 t70 -173.56 -62.04 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 113.366 -1.743 . . . . 1.29 109.998 178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.72 -29.99 9.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.973 -0.558 . . . . 1.71 111.383 -172.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 30' ' ' LYS . 85.7 mt -90.67 -58.02 2.63 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 116.391 -0.368 . . . . 0.89 111.949 -178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 75.17 111.37 0.07 Allowed 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.217 1.407 . . . . 2.15 109.297 -172.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.708 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 3.9 t -111.37 35.08 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 107.612 -1.255 . . . . 1.42 107.612 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 34.5 t0 64.74 6.69 3.41 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.108 1.763 . . . . 1.17 110.86 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.415 ' O ' ' H37' ' A' ' 101' ' ' SOO . 81.6 p 54.94 -39.82 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 129.395 3.078 . . . . 0.97 117.515 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 42' ' ' SER . 2.0 pp -86.82 -30.36 21.56 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-O 121.898 0.856 . . . . 1.04 109.398 173.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 39.3 m -81.96 -12.04 58.57 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 114.773 -1.103 . . . . 1.07 113.692 -178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.708 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 1.1 ppp? -59.03 -30.14 67.8 Favored 'General case' 0 C--O 1.216 -0.688 0 C-N-CA 120.104 -0.639 . . . . 1.39 111.828 177.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG23 ' SD ' ' A' ' 43' ' ' MET . 84.1 t -62.34 -39.98 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.49 109.187 177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -64.63 -44.45 90.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.898 -1.046 . . . . 0.69 109.407 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 38' ' ' VAL . 96.6 t -52.74 -51.26 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-N 116.133 -0.485 . . . . 0.81 110.098 170.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 43' ' ' MET . 58.3 t -50.44 -57.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.224 0 O-C-N 123.576 0.547 . . . . 0.42 110.616 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -52.42 -40.84 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 CA-C-O 121.279 0.561 . . . . 0.76 111.693 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.76 62.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.986 0.422 . . . . 0.34 110.525 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.17 71.2 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.811 -0.811 . . . . 0.43 108.811 175.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.768 ' HA ' HG12 ' A' ' 56' ' ' VAL . 49.2 mt-10 -63.33 -29.01 70.4 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.397 -0.819 . . . . 1.92 110.129 174.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -78.36 -48.9 14.59 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.736 0.779 . . . . 2.49 109.095 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -52.75 -53.04 53.49 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.741 1.616 . . . . 2.92 113.367 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 10.4 m-85 -104.67 -12.66 16.27 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.044 0.449 . . . . 0.49 110.537 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.597 ' HA ' ' O ' ' A' ' 51' ' ' GLU . 34.4 t70 63.84 72.33 0.47 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 122.938 1.351 . . . . 1.96 109.486 -165.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.3 p -116.04 172.38 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.401 0 N-CA-C 106.86 -1.533 . . . . 0.91 106.86 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' H ' HG22 ' A' ' 56' ' ' VAL . 12.8 mptt -140.24 100.57 3.93 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 109.394 -0.595 . . . . 3.32 109.394 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HD11 HG12 ' A' ' 76' ' ' ILE . 20.5 mt -138.74 100.9 8.06 Favored Pre-proline 0 C--N 1.309 -1.154 0 N-CA-C 109.21 -0.663 . . . . 0.55 109.21 -178.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.558 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 30.4 Cg_endo -67.61 163.69 34.03 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 122.139 1.893 . . . . 0.72 111.875 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' HG12 ' A' ' 63' ' ' VAL . 12.5 p-10 -60.89 -31.82 71.3 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.067 0.765 . . . . 1.18 113.067 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.91 -21.24 57.32 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.605 -0.438 . . . . 2.0 110.445 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 7.5 t70 -85.86 -48.69 8.52 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.195 -1.039 . . . . 1.34 108.195 -177.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.3 p -56.61 -22.63 15.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.686 -1.143 . . . . 0.57 112.623 -177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 67.6 mttm -56.34 -16.24 5.28 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 112.803 0.668 . . . . 2.42 112.803 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -92.69 2.56 56.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 122.101 -0.375 . . . . 1.25 111.575 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.551 HD12 ' H5 ' ' A' ' 101' ' ' SOO . 60.1 mt -83.73 164.5 19.56 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 120.968 0.413 . . . . 0.57 111.483 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.635 ' HG2' ' H ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -148.24 -72.04 0.21 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.939 -0.573 . . . . 2.91 110.009 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.635 ' H ' ' HG2' ' A' ' 67' ' ' LYS . 38.7 p -101.57 178.4 4.65 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 108.241 -1.022 . . . . 0.35 108.241 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.638 HG11 HG12 ' A' ' 26' ' ' VAL . 5.4 m -84.07 -11.82 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 118.733 -1.187 . . . . 0.34 110.201 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.24 -47.82 84.68 Favored Glycine 0 N--CA 1.44 -1.072 0 N-CA-C 109.311 -1.516 . . . . 0.36 109.311 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 36.8 t70 -66.9 -46.32 75.24 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.917 -0.771 . . . . 1.84 108.917 177.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.73 -34.01 67.08 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.246 -0.888 . . . . 0.25 112.247 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.2 m -58.4 -62.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 117.576 0.171 . . . . 0.29 110.857 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -63.52 -29.09 70.41 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.302 0.572 . . . . 1.92 111.292 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 24.6 t80 -66.71 -48.35 69.51 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.755 -1.112 . . . . 0.94 109.482 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.6 mt -69.23 -40.47 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.452 -0.794 . . . . 0.36 109.771 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.4 mt -58.91 -30.93 68.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.26 0.35 . . . . 0.48 111.666 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.86 -46.04 11.7 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 111.939 0.348 . . . . 1.38 111.939 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -72.06 -6.45 42.44 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.757 1.021 . . . . 1.29 113.757 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -87.94 150.76 23.27 Favored 'General case' 0 C--O 1.252 1.225 0 N-CA-C 108.907 -0.775 . . . . 1.19 108.907 178.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.711 1.257 . . . . 2.94 109.48 -172.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.679 ' H8A' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 0 CA-C-O 120.882 0.372 . . . . 1.75 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -160.25 150.63 18.43 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.855 -1.165 . . . . 0.98 107.855 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.8 p -80.62 -179.16 7.08 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 117.758 0.254 . . . . 0.65 110.623 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tm0? -61.31 -42.49 98.75 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 123.009 0.524 . . . . 1.22 109.852 176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.71 -41.0 96.31 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.647 -0.706 . . . . 2.63 109.877 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 35.5 mt-10 -66.84 -34.99 79.02 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.664 -0.244 . . . . 1.91 110.664 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.796 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 77.5 mt -65.94 -62.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.841 -0.429 . . . . 0.31 109.841 175.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.88 -55.7 14.51 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 C-N-CA 123.925 0.89 . . . . 0.38 112.211 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.59 72.91 Favored 'General case' 0 C--N 1.312 -1.029 0 O-C-N 122.041 -0.412 . . . . 0.43 111.686 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.71 -50.42 48.38 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.392 -0.683 . . . . 0.32 111.392 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -48.12 -51.8 23.16 Favored 'General case' 0 CA--C 1.499 -0.99 0 C-N-CA 124.654 1.182 . . . . 0.81 112.089 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.11 -32.61 64.35 Favored 'General case' 0 C--O 1.21 -0.974 0 N-CA-C 113.962 1.097 . . . . 0.31 113.962 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HA ' HG12 ' A' ' 23' ' ' VAL . 46.7 mt-10 -72.43 -40.84 66.77 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 1.77 110.947 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 HG13 ' A' ' 46' ' ' VAL . 2.7 mp -72.72 -38.94 59.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.857 -0.794 . . . . 0.42 108.857 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.6 t -58.95 -38.11 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.367 -0.833 . . . . 0.26 109.565 174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -66.35 -45.28 80.7 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 115.688 -0.687 . . . . 0.49 112.064 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HG3' HG13 ' A' ' 18' ' ' ILE . 12.6 pt-20 -76.27 -24.73 54.48 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.943 0.719 . . . . 1.86 112.943 -176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -104.88 -53.63 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 N-CA-C 112.381 0.512 . . . . 0.75 112.381 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.43 19.9 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.984 0.364 . . . . 0.92 111.984 -175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.38 50.59 3.99 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.541 -0.838 . . . . 0.73 112.406 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.694 ' HB ' HG12 ' A' ' 15' ' ' VAL . 48.8 mm -120.8 134.21 24.25 Favored Pre-proline 0 C--N 1.308 -1.198 0 N-CA-C 107.252 -1.388 . . . . 0.53 107.252 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 83.3 Cg_exo -46.08 142.9 7.93 Favored 'Trans proline' 0 CA--C 1.545 1.055 0 C-N-CA 123.805 3.003 . . . . 0.44 114.238 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.687 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -74.4 15.29 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.898 0.879 . . . . 0.64 113.049 -177.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.511 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 6.8 pt-20 -139.6 11.69 2.5 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 108.794 -0.817 . . . . 2.19 108.794 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 30.9 t70 -110.49 -16.88 13.57 Favored 'General case' 0 C--N 1.298 -1.643 0 C-N-CA 119.924 -0.71 . . . . 0.62 112.002 -172.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.5 t -91.14 80.18 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.377 0 N-CA-C 106.314 -1.736 . . . . 0.63 106.314 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 94.7 mttt -112.98 167.43 10.52 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.057 -0.974 . . . . 2.58 111.952 -175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 70.0 mt -46.11 -41.7 12.72 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 116.753 2.131 . . . . 0.84 116.753 -169.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -90.12 7.13 39.44 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.219 0.533 . . . . 2.39 111.397 -173.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 10.5 mmpt? -102.0 131.9 48.16 Favored 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 121.71 -0.619 . . . . 1.92 110.648 -175.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.802 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 34.7 t -92.83 130.76 38.33 Favored 'General case' 0 N--CA 1.414 -2.269 0 CA-C-N 114.505 -1.225 . . . . 1.23 109.618 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 73.9 m-85 -56.94 -57.64 11.65 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 108.746 -0.835 . . . . 1.05 108.746 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.94 38.45 0.76 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 114.609 -1.178 . . . . 1.55 113.231 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 t70 -163.08 -60.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 120.898 0.38 . . . . 1.29 111.392 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -84.14 -51.46 7.05 Favored 'General case' 0 CA--C 1.495 -1.16 0 CA-C-O 121.316 0.579 . . . . 1.71 110.721 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 mt -78.33 -57.36 3.82 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.64 -1.164 . . . . 0.89 111.924 -172.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 68.29 105.22 0.05 Allowed 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 124.867 1.267 . . . . 2.15 109.109 -171.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.62 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 4.2 t -100.98 39.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 CA-C-N 115.358 -0.837 . . . . 1.42 109.324 -173.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' HB3' ' OG ' ' A' ' 42' ' ' SER . 25.9 t70 64.87 -2.05 0.75 Allowed 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.244 1.417 . . . . 1.17 112.308 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 38' ' ' VAL 0.281 97.0 p 60.51 -40.5 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 128.991 2.916 . . . . 0.97 117.764 175.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 42' ' ' SER . 2.9 pp -87.38 -35.5 18.31 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.242 -0.911 . . . . 1.04 111.445 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.594 ' N ' HD12 ' A' ' 41' ' ' LEU . 43.9 p -84.33 -11.8 55.7 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.72 -0.673 . . . . 1.07 112.49 -175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.762 ' HB2' ' H4A' ' A' ' 101' ' ' SOO . 1.7 ppp? -53.97 -30.08 45.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.123 0.786 . . . . 1.39 113.123 178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 64.3 t -63.15 -38.67 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.424 0.63 . . . . 0.49 109.563 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.9 -41.69 86.73 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.211 -0.904 . . . . 0.69 108.638 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.6 t -52.56 -56.13 8.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 115.69 -0.686 . . . . 0.81 109.872 170.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.757 HG21 HG11 ' A' ' 63' ' ' VAL . 83.2 t -44.59 -58.89 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 123.912 0.885 . . . . 0.42 110.689 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 59.9 t -48.74 -42.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 122.827 0.451 . . . . 0.76 112.057 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.66 -24.47 25.25 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.314 0.487 . . . . 0.34 112.314 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -74.89 -52.22 11.85 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 108.631 -0.877 . . . . 0.43 108.631 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' HG13 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -57.39 -29.25 63.93 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.865 0.866 . . . . 1.92 111.286 175.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 8.4 tp10 -69.92 -22.07 63.24 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.591 -0.731 . . . . 2.49 110.041 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 1.1 tpm_? -83.7 -43.2 15.78 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.533 0.733 . . . . 2.92 110.769 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 5.0 m-85 -86.97 -5.5 59.07 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-O 120.903 0.382 . . . . 0.49 110.869 -173.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t0 57.58 69.93 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.816 1.293 . . . . 1.96 109.204 -170.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.607 HG11 HG23 ' A' ' 76' ' ' ILE . 7.9 p -146.78 170.67 4.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.106 0 CA-C-N 113.125 -1.852 . . . . 0.91 106.293 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 11.3 mptt -146.41 102.77 3.62 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 107.945 -1.132 . . . . 3.32 107.945 -175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.3 mt -125.16 116.97 25.6 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 108.239 -1.023 . . . . 0.55 108.239 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.58 160.54 46.33 Favored 'Trans proline' 0 C--O 1.248 1.003 0 C-N-CA 122.663 2.242 . . . . 0.72 112.151 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.8 p-10 -53.06 -41.84 65.23 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.473 0.916 . . . . 1.18 113.473 -177.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 64' ' ' LYS . 25.8 m-20 -64.68 -30.58 71.6 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.465 0.543 . . . . 2.0 112.465 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.579 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 37.0 m-20 -82.15 -32.43 30.06 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.238 -0.437 . . . . 1.34 111.869 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 47' ' ' VAL . 8.5 p -74.02 -22.61 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 120.976 0.417 . . . . 0.57 111.531 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.7 mttt -61.76 -2.79 0.9 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.78 0.832 . . . . 2.42 112.852 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -108.27 7.12 27.16 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.308 0.643 . . . . 1.25 112.215 -178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 57.8 mt -89.97 156.93 18.09 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 121.21 -0.196 . . . . 0.57 110.555 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 68' ' ' THR 0.263 0.0 OUTLIER -131.36 -63.52 0.84 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 119.268 -0.973 . . . . 2.91 111.213 172.519 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.3 p -101.07 176.09 5.37 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 109.238 -0.653 . . . . 0.35 109.238 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 13.8 m -80.97 -12.85 12.74 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.608 0 C-N-CA 118.16 -1.416 . . . . 0.34 109.741 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.421 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -67.8 -48.36 55.74 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 107.973 -2.051 . . . . 0.36 107.973 173.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 24.2 t70 -61.85 -40.32 94.91 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.672 -0.764 . . . . 1.84 109.526 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -64.32 -49.57 71.22 Favored 'General case' 0 C--O 1.203 -1.358 0 CA-C-N 115.436 -0.802 . . . . 0.25 112.107 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.497 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.7 m -50.0 -60.85 2.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.088 0.555 . . . . 0.29 111.458 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -58.84 -35.0 72.19 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.297 0.57 . . . . 1.92 111.198 -178.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 58.1 t80 -69.69 -50.55 42.77 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.984 -1.007 . . . . 0.94 109.64 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.607 HG23 HG11 ' A' ' 56' ' ' VAL . 87.0 mt -60.52 -45.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 115.177 -0.919 . . . . 0.36 109.676 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.5 mt -53.43 -39.98 64.81 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.599 0.562 . . . . 0.48 112.099 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -76.15 -37.16 58.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.892 0.377 . . . . 1.38 110.693 -178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.672 0.989 . . . . 1.29 113.672 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 3.9 pt20 -90.17 157.84 17.53 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.476 0.655 . . . . 1.19 111.151 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 N-CA-C 105.604 -1.999 . . . . 2.94 105.604 170.144 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.762 ' H4A' ' HB2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.549 0 N-CA-C 108.239 -1.023 . . . . 1.75 108.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.76 143.15 6.67 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 110.236 -0.283 . . . . 0.98 110.236 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 56.6 p -87.42 -176.58 5.67 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.878 -0.786 . . . . 0.65 108.878 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -61.94 -39.52 92.34 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.984 -0.747 . . . . 1.22 108.984 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.09 -44.17 96.48 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.618 -1.174 . . . . 2.63 109.952 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.7 -37.88 70.63 Favored 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.044 -0.526 . . . . 1.91 111.927 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.594 HG21 ' HA ' ' A' ' 73' ' ' THR . 82.4 mt -63.86 -58.99 4.98 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 110.231 -0.285 . . . . 0.31 110.231 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 C-N-CA 122.921 0.488 . . . . 0.38 111.536 -178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -63.61 -37.55 87.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.579 0.228 . . . . 0.43 111.344 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.74 -33.62 76.2 Favored Glycine 0 CA--C 1.501 -0.792 0 CA-C-N 116.011 -0.54 . . . . 0.32 112.253 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.95 -45.96 91.39 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.381 -0.6 . . . . 0.81 109.381 177.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -61.44 -33.92 74.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.734 -0.666 . . . . 0.31 111.451 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.3 mm-40 -57.04 -53.5 57.35 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.404 -0.591 . . . . 1.77 109.404 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.543 HG22 HG13 ' A' ' 46' ' ' VAL . 2.3 mp -71.31 -40.04 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-N 115.916 -0.584 . . . . 0.42 110.914 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.2 t -57.28 -38.05 59.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-O 121.189 0.519 . . . . 0.26 110.928 177.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -68.82 -25.45 64.67 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.957 -0.565 . . . . 0.49 110.99 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 12.2 mm-40 -81.1 -56.21 4.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.415 0.626 . . . . 1.86 109.737 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' VAL . 45.2 mm -67.34 -53.37 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.75 111.672 -174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.05 -37.89 7.17 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.637 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 53.12 2.25 Favored Glycine 0 C--N 1.305 -1.17 0 N-CA-C 110.73 -0.948 . . . . 0.73 110.73 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.623 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -112.31 139.12 22.18 Favored Pre-proline 0 C--N 1.308 -1.234 0 N-CA-C 107.891 -1.152 . . . . 0.53 107.891 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 43.0 Cg_exo -38.6 132.39 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 124.557 3.505 . . . . 0.44 114.072 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 22.4 m -73.85 -2.91 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 113.708 1.003 . . . . 0.64 113.708 -174.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -112.39 -1.0 15.16 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 109.32 -0.622 . . . . 2.19 109.32 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 26.7 t70 -95.24 -14.63 23.87 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 120.165 -0.614 . . . . 0.62 112.595 -170.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.8 t -88.67 70.76 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 N-CA-C 106.789 -1.559 . . . . 0.63 106.789 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' VAL . 64.8 mttm -96.29 161.82 13.77 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.895 -1.502 . . . . 2.58 110.137 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' HA ' HG23 ' A' ' 69' ' ' VAL . 63.6 mt -52.89 -30.57 34.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.956 0.903 . . . . 0.84 112.964 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -91.13 13.94 15.56 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.035 -0.53 . . . . 2.39 111.607 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.738 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -118.27 129.43 55.46 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.567 -0.531 . . . . 1.92 109.567 -174.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.756 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 23.1 t -85.82 136.18 33.42 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 108.651 -0.87 . . . . 1.23 108.651 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HA ' HD12 ' A' ' 36' ' ' LEU . 78.4 m-85 -51.59 -74.43 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.379 0.881 . . . . 1.05 113.379 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 40' ' ' SER . 41.4 p -85.06 35.7 0.59 Allowed 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 113.262 0.838 . . . . 1.55 113.262 -174.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -146.44 -61.96 0.31 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.741 0.305 . . . . 1.29 111.352 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.738 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 22.0 m-20 -81.91 -42.8 19.0 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 121.266 0.555 . . . . 1.71 109.905 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 32' ' ' PHE . 61.3 mt -80.73 -52.28 7.72 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.736 -0.665 . . . . 0.89 110.064 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 68.27 91.21 0.09 Allowed 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 114.016 -1.447 . . . . 2.15 109.252 -174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 HG21 ' A' ' 46' ' ' VAL . 4.6 t -103.21 36.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 107.892 -1.151 . . . . 1.42 107.892 -172.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.3 t70 67.86 5.1 4.3 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 113.756 -1.565 . . . . 1.17 110.015 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.46 ' HA ' HG22 ' A' ' 33' ' ' THR . 29.7 t 63.74 -74.09 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 126.039 1.735 . . . . 0.97 113.104 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -65.66 -32.12 73.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.329 0.585 . . . . 1.04 111.113 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 50.6 m -73.69 -11.86 60.54 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.3 -0.863 . . . . 1.07 112.376 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.436 ' CE ' ' H43' ' A' ' 101' ' ' SOO . 0.0 OUTLIER -59.29 -29.83 67.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 120.27 -0.572 . . . . 1.39 109.882 -177.701 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.56 -22.93 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 115.702 -0.681 . . . . 0.49 110.916 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.77 -26.31 37.33 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 121.133 0.492 . . . . 0.69 109.706 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 14' ' ' ILE . 92.7 t -66.89 -44.96 88.5 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 108.491 -0.929 . . . . 0.81 108.491 175.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 49.5 t -44.84 -61.19 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 O-C-N 124.639 1.212 . . . . 0.42 110.827 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -49.09 -51.95 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 123.761 0.824 . . . . 0.76 112.323 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.61 65.45 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 120.895 0.378 . . . . 0.34 111.124 -177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.23 77.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 0.43 108.799 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.692 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.6 mt-10 -59.29 -45.71 90.52 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.9 -0.591 . . . . 1.92 109.626 175.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.63 -25.99 68.4 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.673 -1.149 . . . . 2.49 110.987 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -86.09 -53.23 5.19 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.722 -0.672 . . . . 2.92 111.856 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.8 m-85 -86.31 -6.64 58.91 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.757 -0.202 . . . . 0.49 111.446 -174.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 67.4 22.73 9.34 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 123.092 1.425 . . . . 1.96 108.101 -174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 51' ' ' GLU . 6.3 p -84.33 168.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.901 0 CA-C-N 114.626 -1.17 . . . . 0.91 108.082 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 56' ' ' VAL . 3.1 mppt? -137.71 111.47 8.22 Favored 'General case' 0 C--N 1.275 -2.67 0 N-CA-C 107.832 -1.173 . . . . 3.32 107.832 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HG12 ' A' ' 76' ' ' ILE . 13.0 mt -140.14 97.55 7.76 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.821 -1.177 . . . . 0.55 107.821 178.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -61.72 157.75 40.92 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.371 2.047 . . . . 0.72 110.981 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.7 p-10 -58.06 -36.7 73.16 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.285 0.476 . . . . 1.18 112.285 -177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.07 -25.06 62.46 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 121.307 0.575 . . . . 2.0 110.997 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.91 -37.84 18.67 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.309 -0.626 . . . . 1.34 109.309 -178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 60' ' ' ASP . 10.9 p -66.47 -20.75 27.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.268 0.627 . . . . 0.57 112.377 -177.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HD2' H38A ' A' ' 101' ' ' SOO . 26.2 mtmm -55.0 -8.13 0.24 Allowed 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 113.29 0.848 . . . . 2.42 113.29 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -103.39 9.53 37.78 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.998 -0.438 . . . . 1.25 112.148 -173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -88.58 166.88 13.84 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.819 -0.752 . . . . 0.57 111.596 -177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -140.74 -76.84 0.31 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.969 -0.752 . . . . 2.91 108.969 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.756 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 71.5 p -105.8 -176.08 2.98 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.877 -1.157 . . . . 0.35 107.877 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 28' ' ' LEU . 10.5 m -82.44 -11.61 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.627 0 C-N-CA 118.506 -1.278 . . . . 0.34 110.366 172.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -66.35 -43.95 91.61 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 108.127 -1.989 . . . . 0.36 108.127 175.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.43 -53.06 61.41 Favored 'General case' 0 CA--C 1.502 -0.896 0 CA-C-N 114.1 -1.05 . . . . 1.84 108.188 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -55.71 -43.0 76.08 Favored 'General case' 0 C--O 1.201 -1.496 0 CA-C-N 114.735 -1.121 . . . . 0.25 112.561 -177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.594 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -57.1 -52.54 64.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.503 0.192 . . . . 0.29 110.814 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 39.2 mmtm -63.87 -32.6 74.17 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 121.839 0.828 . . . . 1.92 109.938 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -75.22 -48.3 24.1 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.251 -1.34 . . . . 0.94 109.955 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.562 HG12 HD11 ' A' ' 58' ' ' ILE . 79.9 mt -65.19 -39.29 84.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.707 -0.679 . . . . 0.36 110.466 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 73' ' ' THR . 89.9 mt -57.44 -37.46 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 0.48 111.897 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.46 -40.76 17.33 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.928 -0.578 . . . . 1.38 111.293 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -8.64 56.87 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.571 0.952 . . . . 1.29 113.571 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -84.99 83.63 7.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.549 1.166 . . . . 1.19 112.06 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.146 0 CA-C-N 114.025 -1.443 . . . . 2.94 107.153 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.699 HN36 ' H31' ' A' ' 101' ' ' SOO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.909 -0.404 . . . . 1.75 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -149.55 177.21 9.94 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 107.067 -1.457 . . . . 0.98 107.067 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 p -109.41 -173.45 2.27 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 120.152 -0.619 . . . . 0.65 109.594 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.0 -30.35 68.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.595 -0.52 . . . . 1.22 109.595 177.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -68.18 -41.98 80.65 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.127 -0.488 . . . . 2.63 111.149 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 3.6 mp0 -63.38 -42.85 98.86 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 120.792 -0.363 . . . . 1.91 110.937 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 74.1 mt -62.91 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 115.641 -0.708 . . . . 0.31 111.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.32 -53.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 C-N-CA 122.914 0.486 . . . . 0.38 112.035 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.31 83.5 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.701 0.26 . . . . 0.43 111.701 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.6 -38.81 93.58 Favored Glycine 0 CA--C 1.504 -0.597 0 CA-C-N 116.287 -0.415 . . . . 0.32 112.227 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.94 -42.15 79.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 C-N-CA 122.867 0.467 . . . . 0.81 111.223 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -66.63 -27.0 67.34 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-N 115.8 -0.636 . . . . 0.31 112.11 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.41 -50.61 58.77 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.933 -0.766 . . . . 1.77 108.933 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -63.57 -45.72 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 115.221 -0.9 . . . . 0.42 109.719 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 21' ' ' ILE . 69.6 t -61.6 -25.93 38.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.259 0.552 . . . . 0.26 111.507 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -78.28 -33.24 49.6 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.329 -0.396 . . . . 0.49 110.398 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -83.41 -43.01 16.34 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 120.719 -0.392 . . . . 1.86 111.956 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 14' ' ' ILE . 23.8 mm -71.12 -53.11 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.656 0.265 . . . . 0.75 110.743 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -101.77 -43.79 5.73 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.836 0.351 . . . . 0.92 111.826 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.76 34.05 4.2 Favored Glycine 0 C--N 1.303 -1.297 0 N-CA-C 110.659 -0.976 . . . . 0.73 110.659 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.7 ' HB ' HG12 ' A' ' 15' ' ' VAL . 43.9 mm -101.56 134.6 20.14 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 108.702 -0.851 . . . . 0.53 108.702 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -39.69 138.26 0.96 Allowed 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.897 3.731 . . . . 0.44 114.951 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.876 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -75.11 18.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.596 -1.183 . . . . 0.64 112.972 -176.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -145.57 14.89 1.42 Allowed 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.171 -0.677 . . . . 2.19 109.171 -178.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -115.39 -13.8 11.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.728 -0.669 . . . . 0.62 110.955 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG12 HG11 ' A' ' 69' ' ' VAL . 41.0 t -88.43 64.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 106.99 -1.485 . . . . 0.63 106.99 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 69' ' ' VAL . 8.4 mtpm? -98.76 170.43 8.78 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.883 -1.053 . . . . 2.58 111.955 -173.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.58 -43.21 25.21 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.799 1.407 . . . . 0.84 114.799 -172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -96.91 21.61 9.42 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.847 0.356 . . . . 2.39 111.332 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.4 mmmt -111.74 125.12 53.65 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.582 -0.896 . . . . 1.92 108.582 -177.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 33.7 t -86.67 137.81 32.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.0 m-85 -58.77 -66.27 0.53 Allowed 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 123.621 0.576 . . . . 1.05 111.003 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.4 m -91.78 62.3 4.36 Favored 'General case' 0 N--CA 1.406 -2.655 0 CA-C-O 121.927 0.87 . . . . 1.55 110.398 -175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 15.0 t70 -174.36 -65.64 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 114.409 -1.269 . . . . 1.29 109.129 177.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 6.7 m-20 -79.44 -44.25 21.72 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 115.77 -0.65 . . . . 1.71 110.615 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 32' ' ' PHE . 52.6 mt -85.27 -61.23 1.82 Allowed 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.527 -0.76 . . . . 0.89 111.27 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 75.89 105.24 0.07 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.011 1.325 . . . . 2.15 111.466 -176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 19' ' ' ALA . 12.1 t -121.42 45.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 122.002 0.906 . . . . 1.42 108.954 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.1 t70 63.88 7.81 3.49 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 124.517 1.127 . . . . 1.17 111.993 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' MET 0.253 97.5 p 61.51 -41.78 0.13 Allowed 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 128.225 2.61 . . . . 0.97 116.129 177.146 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 42' ' ' SER . 2.4 pp -87.88 -30.89 19.8 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.418 -0.801 . . . . 1.04 110.434 172.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 41' ' ' LEU . 68.9 m -74.17 -12.04 60.47 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.605 -0.725 . . . . 1.07 112.165 -178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.61 ' SD ' ' H37' ' A' ' 101' ' ' SOO . 0.6 OUTLIER -59.74 -23.11 62.93 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 112.627 0.603 . . . . 1.39 112.627 178.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 48' ' ' VAL . 91.6 t -65.65 -27.91 42.75 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-O 121.32 0.581 . . . . 0.49 110.015 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.22 -33.36 71.58 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.761 -0.654 . . . . 0.69 109.572 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 38' ' ' VAL . 84.3 t -62.86 -50.94 77.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.167 -1.049 . . . . 0.81 108.167 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 22.7 t -46.71 -60.15 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.043 0 O-C-N 124.57 1.169 . . . . 0.42 109.792 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.6 t -47.15 -49.3 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.017 0.927 . . . . 0.76 112.37 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.26 62.6 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.871 0.367 . . . . 0.34 111.104 -177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.07 95.4 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.673 -0.862 . . . . 0.43 108.673 175.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.8 mt-10 -56.45 -48.62 76.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 115.471 -0.786 . . . . 1.92 109.424 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.11 -46.67 87.73 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 115.118 -0.946 . . . . 2.49 111.638 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -69.06 -47.57 65.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 113.2 0.815 . . . . 2.92 113.2 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 11.3 m-85 -89.24 -1.74 58.2 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 120.367 -0.533 . . . . 0.49 111.439 -174.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 60.82 35.27 19.48 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 122.356 1.074 . . . . 1.96 108.831 -174.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.5 p -102.2 174.22 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.36 0 CA-C-N 114.286 -1.325 . . . . 0.91 108.233 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.554 ' H ' HG22 ' A' ' 56' ' ' VAL . 10.8 mptt -141.63 117.83 10.7 Favored 'General case' 0 C--N 1.286 -2.175 0 N-CA-C 106.473 -1.677 . . . . 3.32 106.473 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD11 HG12 ' A' ' 76' ' ' ILE . 2.7 mt -142.46 93.22 7.09 Favored Pre-proline 0 C--N 1.3 -1.551 0 N-CA-C 108.951 -0.759 . . . . 0.55 108.951 -178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' HD2' ' OD2' ' A' ' 62' ' ' ASP . 24.6 Cg_exo -67.45 177.84 3.63 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.866 2.377 . . . . 0.72 111.712 175.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.667 ' HA ' HG12 ' A' ' 63' ' ' VAL . 17.5 t70 -59.98 -45.38 92.91 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 122.358 0.263 . . . . 1.18 111.301 -176.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -66.01 -22.07 66.43 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.807 0.336 . . . . 2.0 111.735 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 59' ' ' PRO . 11.1 m-20 -85.93 -41.0 15.3 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.912 -0.585 . . . . 1.34 110.98 175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.3 p -68.72 -22.7 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 120.329 -0.548 . . . . 0.57 110.274 177.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 53.2 mttp -54.33 -27.17 33.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.617 0.723 . . . . 2.42 110.999 174.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -87.24 -7.41 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.401 -0.818 . . . . 1.25 112.199 -174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.516 HD12 HG23 ' A' ' 63' ' ' VAL . 94.3 mt -87.94 158.68 18.61 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 -174.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HG2' HG23 ' A' ' 68' ' ' THR . 77.4 tttt -139.36 -57.37 0.59 Allowed 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 115.265 -0.88 . . . . 2.91 110.542 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.9 p -126.56 -170.9 2.28 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 108.083 -1.08 . . . . 0.35 108.083 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.557 HG11 HG12 ' A' ' 26' ' ' VAL 0.255 3.0 m -86.71 -11.23 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 C-N-CA 117.315 -1.754 . . . . 0.34 110.242 174.25 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.34 -53.69 24.04 Favored Glycine 0 C--N 1.339 0.747 0 N-CA-C 109.559 -1.417 . . . . 0.36 109.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 68' ' ' THR . 1.1 p-10 -63.83 -40.84 97.55 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.48 -0.86 . . . . 1.84 110.254 173.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.88 -38.62 82.74 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 112.141 0.423 . . . . 0.25 112.141 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.498 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 94.0 m -55.13 -62.33 1.74 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.833 0.288 . . . . 0.29 110.354 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.28 -35.28 75.19 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.537 0.208 . . . . 1.92 111.36 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 23.4 t80 -67.4 -43.57 80.95 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.573 0.701 . . . . 0.94 109.527 -177.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 87.1 mt -65.76 -45.57 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.53 -0.759 . . . . 0.36 109.219 176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 73' ' ' THR . 96.1 mt -57.97 -30.78 66.29 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.522 0.677 . . . . 0.48 110.914 176.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.62 -32.13 41.73 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.965 0.906 . . . . 1.38 111.695 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -93.69 -2.47 53.84 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 114.171 1.174 . . . . 1.29 114.171 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -100.83 170.81 8.07 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.186 -0.321 . . . . 1.19 110.441 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 N-CA-C 109.323 -0.621 . . . . 2.94 109.323 179.581 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.839 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 N-CA-C 109.984 -0.376 . . . . 1.75 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.79 177.02 9.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.617 -1.253 . . . . 0.98 107.617 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 7' ' ' ILE . 69.3 p -111.23 177.28 4.71 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.623 -0.51 . . . . 0.65 109.623 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -62.5 -40.18 95.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.575 -0.898 . . . . 1.22 108.575 173.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.02 -49.71 74.93 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 114.693 -1.14 . . . . 2.63 110.029 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.31 -40.41 90.44 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.307 0.379 . . . . 1.91 111.104 177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.687 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -60.97 -64.14 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.415 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.434 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' VAL . 82.3 t -53.65 -53.27 26.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 112.362 0.504 . . . . 0.38 112.362 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -45.02 94.61 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 111.6 0.222 . . . . 0.43 111.6 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.44 -39.84 55.9 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.329 -0.462 . . . . 0.32 112.078 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -55.62 -47.62 76.27 Favored 'General case' 0 CA--C 1.5 -0.96 0 C-N-CA 123.801 0.841 . . . . 0.81 109.961 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -62.0 -29.96 70.62 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.295 -0.866 . . . . 0.31 112.085 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 28.2 mt-10 -66.86 -51.21 58.2 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 109.521 -0.548 . . . . 1.77 109.521 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.477 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -60.99 -41.81 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 O-C-N 123.91 0.756 . . . . 0.42 109.999 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.687 HG12 ' HB ' ' A' ' 21' ' ' ILE . 75.7 t -59.24 -31.6 46.49 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 CA-C-O 121.667 0.746 . . . . 0.26 110.923 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.02 -20.85 40.85 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.837 -0.619 . . . . 0.49 110.475 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 6.1 mm-40 -81.59 -49.34 10.65 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.928 -0.768 . . . . 1.86 108.928 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG13 HG22 ' A' ' 46' ' ' VAL . 48.5 mm -68.9 -52.09 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 115.067 -0.969 . . . . 0.75 110.927 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 -48.55 3.04 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 0.92 111.997 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.46 19.61 7.4 Favored Glycine 0 C--N 1.308 -1.012 0 C-N-CA 119.878 -1.153 . . . . 0.73 111.507 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.687 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -72.41 136.6 81.16 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 108.868 -0.79 . . . . 0.53 108.868 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -37.03 129.4 0.53 Allowed 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 124.719 3.612 . . . . 0.44 114.188 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.602 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.0 m -70.38 7.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 114.37 1.248 . . . . 0.64 114.37 -175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 34.9 mt-10 -132.87 13.55 4.35 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.683 -0.858 . . . . 2.19 108.683 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 38.5 t70 -111.55 -0.81 16.03 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.729 0.776 . . . . 0.62 111.546 -176.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.665 HG12 HG11 ' A' ' 69' ' ' VAL . 45.1 t -96.57 70.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.406 -1.331 . . . . 0.63 107.406 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 mmtp -99.42 169.83 9.05 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.383 -1.281 . . . . 2.58 111.489 -175.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.751 ' HA ' HG22 ' A' ' 69' ' ' VAL . 7.4 mp -62.33 -22.29 65.96 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.149 1.166 . . . . 0.84 114.149 -176.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.78 8.98 42.01 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 120.86 0.362 . . . . 2.39 111.342 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 26.0 mmmt -106.8 117.71 34.77 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.509 -0.923 . . . . 1.92 108.509 -176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.624 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 65.1 m -81.66 131.74 35.28 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 107.847 -1.168 . . . . 1.23 107.847 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 60.4 m-85 -56.2 -56.86 15.78 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 123.258 0.349 . . . . 1.05 111.458 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -87.1 42.93 1.06 Allowed 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 112.572 0.582 . . . . 1.55 112.572 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.1 t70 -159.17 -64.18 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.303 0.573 . . . . 1.29 110.789 177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.482 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 8.4 m-20 -83.91 -34.09 24.59 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 115.801 -0.636 . . . . 1.71 110.717 -175.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.0 mt -95.24 -62.63 1.27 Allowed 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.329 -0.851 . . . . 0.89 112.203 -175.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 69.11 109.17 0.05 Allowed 'General case' 0 CA--C 1.489 -1.391 0 C-N-CA 125.481 1.513 . . . . 2.15 109.951 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 46' ' ' VAL . 5.0 t -118.94 53.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 N-CA-C 108.079 -1.082 . . . . 1.42 108.079 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 30.3 t70 62.43 21.15 12.39 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 122.685 1.231 . . . . 1.17 109.607 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HB2' ' H28' ' A' ' 101' ' ' SOO 0.348 33.9 p 56.52 -69.9 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 127.721 2.408 . . . . 0.97 116.011 178.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 42' ' ' SER . 2.6 pp -73.2 -27.43 61.61 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 119.081 0.855 . . . . 1.04 110.732 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.622 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 49.0 m -66.6 -11.38 53.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.595 -1.184 . . . . 1.07 111.898 -178.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HE3' ' H43' ' A' ' 101' ' ' SOO . 14.6 tmm? -49.87 -46.14 51.26 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.653 -0.703 . . . . 1.39 110.09 174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 48' ' ' VAL . 50.3 t -55.97 -38.64 53.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.014 -0.993 . . . . 0.49 111.014 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.58 -35.69 79.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.099 -0.501 . . . . 0.69 110.805 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 38' ' ' VAL . 86.0 t -56.36 -53.18 43.21 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.26 -1.015 . . . . 0.81 108.26 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 63' ' ' VAL . 59.4 t -50.32 -54.53 8.43 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 O-C-N 123.998 0.811 . . . . 0.42 110.227 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.3 t -51.52 -44.78 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.305 0 CA-C-O 121.386 0.612 . . . . 0.76 111.387 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.71 -26.57 59.9 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.255 0.55 . . . . 0.34 110.951 -178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.39 -36.22 63.52 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 108.626 -0.879 . . . . 0.43 108.626 174.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HA ' HG12 ' A' ' 56' ' ' VAL . 45.3 mt-10 -60.5 -33.39 72.54 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 109.299 -0.63 . . . . 1.92 109.299 174.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 34.8 tt0 -69.11 -52.14 31.36 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.134 -0.939 . . . . 2.49 109.118 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -54.27 -52.75 60.42 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 2.92 113.161 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 24.5 m-85 -96.17 -4.55 42.4 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.287 -0.565 . . . . 0.49 111.221 -174.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.0 t70 59.5 35.26 22.75 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 123.061 1.41 . . . . 1.96 108.618 -173.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 51' ' ' GLU . 4.0 p -90.96 -179.46 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.012 -1.449 . . . . 0.91 108.688 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.598 ' H ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -142.85 112.6 6.92 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.721 -1.215 . . . . 3.32 107.721 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 HG12 ' A' ' 76' ' ' ILE . 11.2 mt -138.1 99.39 9.05 Favored Pre-proline 0 C--N 1.298 -1.643 0 N-CA-C 109.149 -0.685 . . . . 0.55 109.149 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -64.42 165.02 21.25 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.913 2.409 . . . . 0.72 111.899 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.699 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.82 -32.63 73.87 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.75 0.309 . . . . 1.18 111.224 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.95 -31.05 72.1 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 121.352 0.596 . . . . 2.0 110.358 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.05 -41.68 22.24 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.614 -0.721 . . . . 1.34 111.611 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 47' ' ' VAL . 7.5 p -70.36 -24.01 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 112.915 0.709 . . . . 0.57 112.915 -174.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -70.61 -4.39 23.04 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.846 -0.534 . . . . 2.42 112.144 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -96.42 0.86 51.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.307 -0.627 . . . . 1.25 109.307 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 63' ' ' VAL . 84.9 mt -92.75 178.39 5.8 Favored 'General case' 0 C--O 1.248 0.978 0 N-CA-C 112.361 0.504 . . . . 0.57 112.361 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HB3' ' OD1' ' A' ' 71' ' ' ASP . 31.4 ttmt -158.73 -71.14 0.09 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.659 -0.701 . . . . 2.91 109.686 -171.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.3 p -106.77 -173.28 2.26 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.41 -0.959 . . . . 0.35 108.41 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.751 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -83.14 -12.3 12.03 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 117.981 -1.488 . . . . 0.34 108.884 172.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.22 -43.76 88.29 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 108.085 -2.006 . . . . 0.36 108.085 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 67' ' ' LYS . 7.0 m-20 -59.96 -53.08 62.04 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 113.945 -1.128 . . . . 1.84 108.345 173.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.47 -47.77 78.51 Favored 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 114.821 -1.081 . . . . 0.25 112.665 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG21 ' A' ' 7' ' ' ILE . 87.4 m -51.04 -62.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.476 0.71 . . . . 0.29 111.423 -177.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.53 -30.58 71.39 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 120.962 0.41 . . . . 1.92 111.083 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.439 ' CG ' HD21 ' A' ' 66' ' ' LEU . 11.7 t80 -71.9 -42.67 66.48 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.587 0.708 . . . . 0.94 109.493 -175.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.644 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -65.46 -45.47 92.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.294 -0.866 . . . . 0.36 108.919 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 73' ' ' THR . 95.0 mt -58.21 -34.78 70.76 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.263 0.554 . . . . 0.48 111.139 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.66 -49.26 49.21 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.77 -0.65 . . . . 1.38 111.001 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -78.69 4.33 14.01 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 115.498 1.666 . . . . 1.29 115.498 -176.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HB3' HG23 ' A' ' 56' ' ' VAL . 3.8 pt20 -109.51 170.43 8.06 Favored 'General case' 0 C--N 1.311 -1.093 0 O-C-N 121.826 -0.546 . . . . 1.19 111.382 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.52 0 N-CA-C 107.179 -1.415 . . . . 2.94 107.179 175.406 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.61 ' H28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.237 0.432 0 N-CA-C 109.208 -0.664 . . . . 1.75 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.78 -178.97 5.67 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.087 -0.709 . . . . 0.98 109.087 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.2 p -117.38 179.16 4.13 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.605 -0.517 . . . . 0.65 109.605 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -38.18 89.79 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.557 -0.534 . . . . 1.22 109.557 176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.44 -41.59 98.84 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.666 -0.697 . . . . 2.63 109.952 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -74.53 -37.76 62.96 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.673 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.747 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 67.6 mt -65.65 -60.33 2.82 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.89 0 CA-C-N 116.486 -0.324 . . . . 0.31 111.059 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.3 t -50.91 -59.61 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.84 0 C-N-CA 123.51 0.724 . . . . 0.38 111.378 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.73 -27.71 69.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.133 -0.485 . . . . 0.43 112.292 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.59 -41.68 8.87 Favored Glycine 0 CA--C 1.5 -0.876 0 N-CA-C 111.071 -0.812 . . . . 0.32 111.071 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -44.28 80.96 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.689 1.195 . . . . 0.81 108.351 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.553 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.6 -32.99 70.9 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.762 -1.108 . . . . 0.31 112.548 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 48.4 mt-10 -69.27 -42.9 74.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.044 -0.262 . . . . 1.77 110.834 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' ILE . 1.9 mp -64.57 -41.74 93.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 109.033 -0.728 . . . . 0.42 109.033 176.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.3 t -57.27 -39.83 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.567 0.699 . . . . 0.26 110.21 174.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.385 -0.825 . . . . 0.49 111.069 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 21.6 mm-40 -65.49 -57.28 8.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.05 0.452 . . . . 1.86 109.81 176.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG13 HG22 ' A' ' 46' ' ' VAL . 51.3 mm -61.72 -53.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.091 -0.959 . . . . 0.75 110.97 -176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.21 -60.88 1.66 Allowed 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 120.444 -0.502 . . . . 0.92 111.016 -175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.17 19.35 2.4 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.925 -1.131 . . . . 0.73 111.995 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.607 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.5 mm -74.51 136.88 74.52 Favored Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 107.463 -1.31 . . . . 0.53 107.463 177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.459 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 60.4 Cg_exo -40.89 132.0 2.79 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 124.142 3.228 . . . . 0.44 113.882 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.01 14.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.07 1.348 . . . . 0.64 114.313 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -142.25 1.24 1.4 Allowed 'General case' 0 C--N 1.281 -2.379 0 CA-C-O 121.42 0.629 . . . . 2.19 109.516 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.68 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 24.1 t70 -102.41 3.28 37.62 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-O 121.714 0.768 . . . . 0.62 110.615 -172.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG12 HG11 ' A' ' 69' ' ' VAL . 59.9 t -98.27 64.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 106.518 -1.66 . . . . 0.63 106.518 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -84.1 172.57 11.85 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.356 -1.747 . . . . 2.58 111.09 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' VAL 0.309 8.2 mp -46.02 -65.52 0.54 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 115.086 1.513 . . . . 0.84 115.086 -177.377 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -90.09 66.23 6.69 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.051 -1.06 . . . . 2.39 111.49 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.68 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 24.3 mmmt -138.3 98.34 3.59 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 106.0 -1.852 . . . . 1.92 106.0 175.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 40.1 t -74.62 135.61 42.0 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.238 -0.892 . . . . 1.23 110.779 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 76.5 m-85 -61.63 -35.7 78.66 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 114.594 -1.185 . . . . 1.05 111.925 -174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.6 p -112.36 27.32 9.74 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 112.367 0.506 . . . . 1.55 112.367 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 2.8 t70 -138.91 -57.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.587 0.588 . . . . 1.29 112.587 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.73 -40.67 9.25 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 119.374 -0.931 . . . . 1.71 109.075 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD22 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -84.29 -65.52 1.0 Allowed 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.856 -1.065 . . . . 0.89 111.485 -176.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 68.65 88.01 0.12 Allowed 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 125.686 1.594 . . . . 2.15 109.698 -171.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.43 HG11 HG21 ' A' ' 46' ' ' VAL . 12.2 t -92.36 59.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 CA-C-N 115.118 -0.946 . . . . 1.42 109.016 -177.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 28.4 t70 64.29 0.32 1.02 Allowed 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.679 1.592 . . . . 1.17 112.903 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.586 ' O ' ' HG3' ' A' ' 43' ' ' MET . 78.9 p 59.13 -44.06 0.07 Allowed 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 128.489 2.716 . . . . 0.97 116.735 173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.8 pp -87.15 -33.59 19.36 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.904 0.859 . . . . 1.04 110.211 175.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 41' ' ' LEU . 53.0 m -74.29 -11.16 60.19 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.556 -1.202 . . . . 1.07 112.45 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.79 ' HB2' ' H4 ' ' A' ' 101' ' ' SOO . 0.8 OUTLIER -54.96 -26.23 35.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.799 1.037 . . . . 1.39 113.799 -178.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.5 t -66.31 -35.6 75.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.275 0.559 . . . . 0.49 109.755 177.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.61 -33.94 71.59 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.656 -0.702 . . . . 0.69 109.543 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 18' ' ' ILE . 61.4 t -56.11 -52.73 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 N-CA-C 108.126 -1.065 . . . . 0.81 108.126 171.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 43' ' ' MET . 47.6 t -50.14 -56.8 3.03 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.885 0 O-C-N 124.071 0.857 . . . . 0.42 110.505 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 62.0 t -49.36 -48.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.476 0.711 . . . . 0.76 111.675 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.29 61.15 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.33 -0.396 . . . . 0.34 111.008 -177.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.78 -33.78 74.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.643 -0.873 . . . . 0.43 108.643 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 49.9 mt-10 -58.87 -49.4 77.88 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 109.006 -0.739 . . . . 1.92 109.006 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.72 -43.17 94.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.209 -0.905 . . . . 2.49 111.058 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -64.78 -45.16 87.53 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.477 0.918 . . . . 2.92 113.477 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.747 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 37.6 m-85 -102.55 -6.26 23.04 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.615 -0.834 . . . . 0.49 112.934 -173.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.5 t70 68.29 32.48 4.67 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 123.654 1.692 . . . . 1.96 107.034 -172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 12.0 p -97.49 171.02 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.44 -1.709 . . . . 0.91 108.505 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -140.73 114.85 9.17 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 107.413 -1.329 . . . . 3.32 107.413 -177.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.502 HD11 HG12 ' A' ' 76' ' ' ILE . 11.5 mt -144.44 111.45 5.01 Favored Pre-proline 0 C--N 1.301 -1.525 0 N-CA-C 109.545 -0.539 . . . . 0.55 109.545 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.612 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 39.2 Cg_endo -75.78 157.86 39.33 Favored 'Trans proline' 0 C--O 1.249 1.034 0 C-N-CA 121.561 1.507 . . . . 0.72 110.493 175.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.618 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 4.1 p-10 -62.45 -25.13 67.81 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 112.314 0.487 . . . . 1.18 112.314 -176.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -78.01 -28.19 49.1 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 120.031 -0.668 . . . . 2.0 111.692 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 15.5 t0 -86.54 -28.81 23.12 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.021 -0.536 . . . . 1.34 109.704 -177.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 60' ' ' ASP . 13.1 p -71.03 -22.07 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.384 0.612 . . . . 0.57 110.609 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.4 mttp -58.09 -13.84 5.58 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.868 -0.606 . . . . 2.42 111.81 178.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -94.4 3.11 55.6 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 123.686 0.794 . . . . 1.25 111.506 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 63' ' ' VAL . 59.1 mt -87.71 150.23 23.74 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.036 0.446 . . . . 0.57 111.791 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 68' ' ' THR . 51.9 tttp -113.3 -65.32 1.2 Allowed 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.979 -0.749 . . . . 2.91 108.979 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 41.2 p -129.66 -169.65 2.15 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.222 -0.899 . . . . 0.35 108.869 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 28' ' ' LEU . 1.7 m -87.0 -12.15 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 C-N-CA 118.426 -1.31 . . . . 0.34 110.555 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' O ' ' HD3' ' A' ' 74' ' ' LYS . . . -63.21 -41.83 99.52 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 108.52 -1.832 . . . . 0.36 108.52 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 4.9 m-20 -67.78 -55.76 11.8 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.433 -1.321 . . . . 1.84 107.433 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -51.18 -42.79 61.08 Favored 'General case' 0 C--O 1.192 -1.937 0 CA-C-N 114.425 -1.261 . . . . 0.25 113.279 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.602 ' HA ' HG21 ' A' ' 7' ' ' ILE . 95.7 m -55.73 -60.94 2.73 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 120.949 0.404 . . . . 0.29 110.696 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.524 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -61.09 -37.31 82.27 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.62 0.724 . . . . 1.92 109.863 -178.298 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.0 -48.42 80.38 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.022 -1.445 . . . . 0.94 109.864 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 HG12 HD11 ' A' ' 58' ' ' ILE . 77.2 mt -64.24 -36.38 76.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 C-N-CA 123.612 0.765 . . . . 0.36 110.284 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.29 -27.08 68.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.148 0.499 . . . . 0.48 111.4 177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -87.95 -40.26 14.06 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 121.403 0.621 . . . . 1.38 110.182 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 4.09 36.8 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.889 1.07 . . . . 1.29 113.889 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.704 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.8 pt20 -95.97 163.21 13.24 Favored 'General case' 0 C--N 1.314 -0.971 0 O-C-N 121.736 -0.602 . . . . 1.19 110.938 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.367 0 C-N-CA 124.959 1.303 . . . . 2.94 111.448 -178.561 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.79 ' H4 ' ' HB2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 109.925 -0.398 . . . . 1.75 109.925 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -165.89 144.99 6.12 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.312 -0.996 . . . . 0.98 108.312 -178.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 7' ' ' ILE . 53.1 p -91.99 -175.11 4.0 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 123.402 0.439 . . . . 0.65 110.826 -176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -36.9 73.34 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 109.826 -0.435 . . . . 1.22 109.826 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -60.39 -55.11 37.49 Favored 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 123.855 0.722 . . . . 2.63 109.451 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 4.0 mp0 -60.49 -41.2 93.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.477 0.486 . . . . 1.91 111.184 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.713 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 91.6 mt -62.34 -64.18 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.134 0 CA-C-N 116.038 -0.528 . . . . 0.31 111.371 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.98 -54.27 34.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 C-N-CA 122.834 0.454 . . . . 0.38 111.538 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -25.63 66.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.444 -0.344 . . . . 0.43 111.771 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.27 8.43 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.025 -1.23 . . . . 0.32 110.025 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.03 -55.2 10.68 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 124.769 1.228 . . . . 0.81 110.944 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.72 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.42 -37.46 72.79 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.967 0.728 . . . . 0.31 112.967 -177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -63.01 -49.38 74.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.723 0.297 . . . . 1.77 110.641 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG22 HG13 ' A' ' 46' ' ' VAL . 2.5 mp -67.3 -42.76 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.922 -0.581 . . . . 0.42 109.686 178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.653 HG12 ' HB ' ' A' ' 21' ' ' ILE . 57.4 t -59.49 -37.11 68.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.974 -0.557 . . . . 0.26 111.648 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 16.0 t-20 -70.03 -35.55 74.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 112.155 0.428 . . . . 0.49 112.155 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -83.09 -39.41 21.18 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.947 -0.701 . . . . 1.86 112.253 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 46' ' ' VAL . 57.7 mt -82.5 -52.28 13.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 111.898 0.333 . . . . 0.75 111.898 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.23 -44.79 8.57 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.849 0.357 . . . . 0.92 110.998 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 111.17 6.89 25.48 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.851 -0.69 . . . . 0.73 112.624 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.653 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.0 mm -77.41 135.2 65.57 Favored Pre-proline 0 C--N 1.314 -0.96 0 O-C-N 122.912 -0.169 . . . . 0.53 111.362 -176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -40.85 132.45 2.72 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 124.79 3.66 . . . . 0.44 114.469 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.72 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.4 m -72.07 10.69 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.165 0.986 . . . . 0.64 113.646 -176.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 32.8 mt-10 -128.93 -1.3 5.28 Favored 'General case' 0 C--N 1.294 -1.81 0 N-CA-C 109.133 -0.691 . . . . 2.19 109.133 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -110.3 0.87 18.21 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.644 0.735 . . . . 0.62 111.841 -169.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.35 72.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 107.574 -1.269 . . . . 0.63 107.574 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 67.4 mttm -102.26 163.9 11.98 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.546 -1.206 . . . . 2.58 111.206 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' HG23 ' A' ' 69' ' ' VAL . 91.7 mt -53.31 -32.84 50.77 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.75 1.019 . . . . 0.84 113.75 -173.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.48 19.09 7.6 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 120.995 0.426 . . . . 2.39 111.834 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -109.12 125.67 52.4 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-O 121.347 0.594 . . . . 1.92 109.851 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.653 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 47.2 t -91.62 135.04 34.17 Favored 'General case' 0 C--N 1.282 -2.336 0 CA-C-N 115.086 -0.961 . . . . 1.23 109.963 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -58.66 -63.0 1.44 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.196 -0.911 . . . . 1.05 109.092 174.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.64 49.44 1.18 Allowed 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 124.148 0.979 . . . . 1.55 112.48 -175.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -178.68 -59.29 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.409 0.522 . . . . 1.29 112.409 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -86.55 -40.32 15.34 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.261 0.553 . . . . 1.71 110.921 -174.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 mt -97.29 -56.53 2.51 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.587 -0.733 . . . . 0.89 112.847 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 78.13 114.47 0.07 Allowed 'General case' 0 CA--C 1.501 -0.913 0 C-N-CA 125.86 1.664 . . . . 2.15 108.871 -166.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG13 ' HB2' ' A' ' 43' ' ' MET . 11.4 p -111.03 25.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 123.47 1.605 . . . . 1.42 108.076 -176.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.0 t70 63.55 4.72 1.88 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 127.113 2.165 . . . . 1.17 112.257 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p 56.68 -54.53 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 128.221 2.608 . . . . 0.97 116.084 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 42' ' ' SER . 3.3 pp -79.97 -37.11 35.03 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.99 -0.443 . . . . 1.04 110.607 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 41' ' ' LEU . 66.9 m -77.18 -12.56 59.96 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 115.907 -0.588 . . . . 1.07 111.271 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.641 ' HB2' HG13 ' A' ' 38' ' ' VAL . 15.3 tmm? -52.7 -43.29 65.54 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.263 -0.88 . . . . 1.39 110.766 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 48' ' ' VAL . 60.4 t -52.63 -39.6 30.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.516 -1.22 . . . . 0.49 110.92 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.72 -38.13 79.98 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 116.513 -0.312 . . . . 0.69 110.558 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' HA ' HD12 ' A' ' 18' ' ' ILE . 89.0 t -53.91 -49.62 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.853 -0.795 . . . . 0.81 108.853 172.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 63' ' ' VAL . 60.3 t -55.05 -50.26 64.73 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.418 0 CA-C-N 115.955 -0.566 . . . . 0.42 110.815 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.6 t -50.8 -45.9 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.195 0.521 . . . . 0.76 111.414 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.98 -30.68 62.62 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.01 -0.541 . . . . 0.34 110.603 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.93 79.7 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.049 -0.723 . . . . 0.43 109.049 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.1 mt-10 -61.86 -32.22 72.55 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.528 -0.76 . . . . 1.92 109.938 176.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.75 -56.25 6.13 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 108.599 -0.889 . . . . 2.49 108.599 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -55.87 -41.88 75.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.317 1.447 . . . . 2.92 114.482 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.713 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 7.6 m-85 -107.42 -4.47 18.49 Favored 'General case' 0 C--O 1.253 1.267 0 C-N-CA 120.552 -0.459 . . . . 0.49 110.651 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.11 31.65 20.65 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-O 123.547 1.642 . . . . 1.96 108.789 -170.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 80' ' ' GLN . 9.8 p -81.16 170.42 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.47 0 N-CA-C 107.233 -1.395 . . . . 0.91 107.233 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.804 ' HE2' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -146.15 112.36 5.79 Favored 'General case' 0 C--N 1.268 -2.97 0 N-CA-C 109.236 -0.653 . . . . 3.32 109.236 175.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 76' ' ' ILE . 40.4 mt -136.99 104.91 8.8 Favored Pre-proline 0 C--N 1.302 -1.477 0 N-CA-C 109.18 -0.674 . . . . 0.55 109.18 -175.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 24.0 Cg_endo -65.62 165.82 21.84 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.67 2.247 . . . . 0.72 111.731 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 63' ' ' VAL . 5.7 p-10 -67.62 -34.97 78.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.306 0.854 . . . . 1.18 113.306 -175.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.67 -41.86 98.13 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 122.012 0.911 . . . . 2.0 109.148 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 10.7 t70 -68.95 -40.8 78.73 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 113.668 -1.606 . . . . 1.34 110.602 -175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.5 p -70.16 -22.81 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.856 0.687 . . . . 0.57 112.856 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 49.7 mtmt -61.77 -11.83 14.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.545 0.572 . . . . 2.42 112.545 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -98.32 6.05 47.7 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.024 0.379 . . . . 1.25 112.024 -175.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 63' ' ' VAL . 57.6 mt -92.65 164.1 13.53 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.913 -0.315 . . . . 0.57 111.001 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG2' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -145.92 -49.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.204 -0.598 . . . . 2.91 112.124 -177.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.8 p -119.81 173.09 7.25 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.495 -0.928 . . . . 0.35 108.495 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.8 m -79.99 -12.42 13.02 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.732 -1.187 . . . . 0.34 109.237 171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.82 -50.24 54.42 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 109.343 -1.503 . . . . 0.36 109.343 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 25.0 t0 -68.67 -41.31 79.46 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.036 -0.727 . . . . 1.84 109.036 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -58.59 -41.08 84.98 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.511 -0.768 . . . . 0.25 112.165 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 7' ' ' ILE . 65.8 m -58.58 -54.16 50.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.788 0.327 . . . . 0.29 110.912 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 77' ' ' LEU . 29.8 mmtp -67.5 -26.69 66.48 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.253 1.025 . . . . 1.92 109.607 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.598 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 26.4 t80 -72.54 -55.03 7.57 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-N 113.876 -1.511 . . . . 0.94 108.745 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.14 -41.76 81.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.215 0 CA-C-N 115.385 -0.825 . . . . 0.36 110.461 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 73' ' ' THR . 92.3 mt -52.11 -39.23 59.54 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.687 0.617 . . . . 0.48 111.712 177.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -89.03 -40.11 13.21 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.986 0.422 . . . . 1.38 111.856 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 4.93 16.35 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.965 0.906 . . . . 1.29 113.052 -174.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.659 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.4 pt20 -97.45 170.31 9.14 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.149 -0.344 . . . . 1.19 111.202 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . . . . . . . . 0 N--CA 1.424 -1.763 0 N-CA-C 107.14 -1.43 . . . . 2.94 107.14 174.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.491 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.385 0 N-CA-C 109.566 -0.531 . . . . 1.75 109.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.43 178.24 4.61 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.274 -0.421 . . . . 0.98 112.078 -174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.632 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.0 p -140.16 -173.69 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.235 -1.765 . . . . 0.65 106.235 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -60.42 -43.31 96.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.798 0.726 . . . . 1.22 110.756 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.49 -40.18 95.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.92 -0.582 . . . . 2.63 110.174 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HB2' ' H ' ' A' ' 3' ' ' THR . 7.9 mm-40 -72.85 -41.16 65.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 1.91 110.944 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.853 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 79.2 mt -65.17 -60.2 3.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 123.456 0.473 . . . . 0.31 111.534 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 26' ' ' VAL . 94.8 t -53.05 -62.97 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.851 0 O-C-N 123.48 0.487 . . . . 0.38 111.319 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.57 88.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.081 -0.509 . . . . 0.43 112.343 -177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA2' ' OE1' ' A' ' 13' ' ' GLU . . . -70.87 -39.52 64.73 Favored Glycine 0 CA--C 1.504 -0.632 0 C-N-CA 121.356 -0.45 . . . . 0.32 112.821 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.954 -0.387 . . . . 0.81 109.954 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -58.2 -31.13 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.779 0.675 . . . . 0.31 112.318 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 43.1 mt-10 -62.52 -56.62 16.34 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.491 -0.559 . . . . 1.77 109.491 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.759 HG22 HG23 ' A' ' 46' ' ' VAL . 2.9 mp -68.51 -31.17 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-O 121.365 0.602 . . . . 0.42 110.522 -178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 21' ' ' ILE . 54.0 t -61.66 -42.27 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.091 175.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -68.49 -25.47 64.98 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 120.899 0.381 . . . . 0.49 111.239 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 47.4 mm-40 -73.48 -56.07 5.52 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.302 0.573 . . . . 1.86 110.678 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.3 mt -81.82 -52.11 14.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 115.383 -0.826 . . . . 0.75 112.161 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -89.32 -32.77 17.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 120.752 0.31 . . . . 0.92 111.621 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.98 11.96 62.65 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.916 -0.659 . . . . 0.73 112.198 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' A' ' 15' ' ' VAL . 45.3 mm -77.96 140.54 62.42 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 122.758 0.423 . . . . 0.53 110.405 -177.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 41.4 Cg_exo -36.69 136.77 0.26 Allowed 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 124.782 3.655 . . . . 0.44 114.657 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -75.37 17.13 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 114.435 1.272 . . . . 0.64 114.435 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -152.18 14.91 0.62 Allowed 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.239 -0.652 . . . . 2.19 109.239 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.651 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 35.2 t70 -102.69 -1.1 30.7 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 122.035 0.921 . . . . 0.62 110.49 -175.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 HG11 ' A' ' 69' ' ' VAL . 61.5 t -91.96 68.11 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 N-CA-C 105.874 -1.898 . . . . 0.63 105.874 176.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' HE3' ' HA ' ' A' ' 25' ' ' ASP . 87.0 mttt -90.98 160.88 15.41 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.564 -1.653 . . . . 2.58 110.643 -172.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' HA2' ' A' ' 70' ' ' GLY . 79.8 mt -48.73 -37.75 19.65 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.232 1.013 . . . . 0.84 113.34 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.17 18.34 13.84 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 111.909 0.337 . . . . 2.39 111.909 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 30.5 mmmt -109.27 128.48 55.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.02 -0.734 . . . . 1.92 109.02 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.5 t -87.44 135.31 33.39 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 109.161 -0.681 . . . . 1.23 109.161 -177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.615 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 92.8 m-85 -56.86 -65.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.426 . . . . 1.05 111.611 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 p -87.2 44.95 1.22 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.624 0.602 . . . . 1.55 112.624 -176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 29.3 t70 -157.75 -50.13 0.07 Allowed 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.146 0.498 . . . . 1.29 110.485 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 13.2 m-20 -94.03 -56.32 2.9 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 115.611 -0.722 . . . . 1.71 109.821 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 32' ' ' PHE . 59.7 mt -72.44 -60.14 2.38 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.5 -1.227 . . . . 0.89 112.12 -172.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 65.38 96.22 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.023 0.916 . . . . 2.15 111.985 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 43' ' ' MET . 16.9 t -104.22 46.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-O 122.546 1.165 . . . . 1.42 108.176 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 7.6 t70 66.39 3.83 2.98 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 114.012 -1.449 . . . . 1.17 111.977 176.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 43' ' ' MET . 81.8 p 61.97 -42.6 0.15 Allowed 'General case' 0 C--O 1.205 -1.283 0 C-N-CA 128.277 2.631 . . . . 0.97 115.041 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 42' ' ' SER . 3.7 pp -86.34 -33.33 20.61 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.824 0.821 . . . . 1.04 109.831 175.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 37.2 m -76.91 -11.2 59.78 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 114.867 -1.06 . . . . 1.07 112.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.705 ' SD ' ' H37' ' A' ' 101' ' ' SOO 0.272 0.8 OUTLIER -60.63 -26.98 67.43 Favored 'General case' 0 C--O 1.196 -1.725 0 C-N-CA 119.187 -1.005 . . . . 1.39 112.285 177.398 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 48' ' ' VAL . 87.6 t -63.65 -35.07 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.944 -0.761 . . . . 0.49 108.944 177.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -69.23 -43.65 73.61 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 114.912 -1.04 . . . . 0.69 109.919 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 HG22 ' A' ' 14' ' ' ILE . 7.3 p -62.16 -30.49 48.92 Favored 'Isoleucine or valine' 0 C--N 1.363 1.195 0 C-N-CA 119.588 -0.845 . . . . 0.81 111.063 175.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 57.6 t -62.71 -58.11 9.06 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 N-CA-C 109.311 -0.625 . . . . 0.42 109.311 177.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.679 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 70.1 t -50.5 -39.8 17.92 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 C-N-CA 123.779 0.832 . . . . 0.76 112.689 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.97 -27.88 30.15 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.998 -0.439 . . . . 0.34 110.802 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 54' ' ' PHE . . . -69.03 -37.22 78.5 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.79 -0.818 . . . . 0.43 108.79 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.679 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 48.1 mt-10 -54.8 -46.28 74.46 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 108.942 -0.762 . . . . 1.92 108.942 175.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -65.99 -26.14 67.41 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.131 -1.395 . . . . 2.49 111.079 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -88.21 -29.17 20.67 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.349 -0.841 . . . . 2.92 110.96 -176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.853 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.8 m-85 -104.61 -4.96 21.89 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 111.692 0.256 . . . . 0.49 111.692 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.3 t70 68.37 20.48 8.62 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 124.597 1.186 . . . . 1.96 109.329 -175.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 57' ' ' LYS . 5.5 p -99.52 -173.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 109.291 -0.633 . . . . 0.91 109.291 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 56' ' ' VAL . 70.1 mmtt -150.61 120.16 6.95 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 125.579 1.551 . . . . 3.32 107.844 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 76' ' ' ILE . 7.9 mt -142.3 99.28 5.92 Favored Pre-proline 0 C--N 1.296 -1.737 0 N-CA-C 107.603 -1.258 . . . . 0.55 107.603 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -65.61 165.19 23.75 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.426 2.084 . . . . 0.72 111.435 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.694 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.7 p-10 -62.07 -29.28 70.19 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.76 -0.587 . . . . 1.18 111.65 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -66.78 -30.52 70.75 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.463 0.649 . . . . 2.0 110.3 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' OH ' ' A' ' 75' ' ' TYR . 23.2 t0 -87.03 -43.9 11.98 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.167 0.508 . . . . 1.34 110.207 -177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 60' ' ' ASP . 8.4 p -59.89 -22.44 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.572 0.953 . . . . 0.57 113.572 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -62.65 -6.79 3.85 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 112.954 0.724 . . . . 2.42 112.954 -177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -95.67 1.97 53.81 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.681 0.277 . . . . 1.25 111.129 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 HD12 ' H6A' ' A' ' 101' ' ' SOO . 48.8 mt -85.04 151.78 23.92 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.219 0.533 . . . . 0.57 111.99 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 31.2 ttmt -127.37 -78.71 0.58 Allowed 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.351 -0.981 . . . . 2.91 108.351 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.591 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.4 p -107.02 -175.21 2.73 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 107.665 -1.235 . . . . 0.35 107.665 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.615 HG12 ' CZ ' ' A' ' 32' ' ' PHE 0.285 5.6 m -83.96 -11.9 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 117.918 -1.513 . . . . 0.34 110.795 175.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -65.96 -47.88 70.56 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 108.582 -1.807 . . . . 0.36 108.582 174.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 67' ' ' LYS . 14.4 m-20 -62.48 -48.17 80.76 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 108.097 -1.075 . . . . 1.84 108.097 175.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -56.2 -45.91 79.66 Favored 'General case' 0 C--O 1.199 -1.602 0 CA-C-N 114.824 -1.08 . . . . 0.25 112.25 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.509 HG23 HD12 ' A' ' 7' ' ' ILE . 92.4 m -52.31 -54.51 30.67 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.259 0.349 . . . . 0.29 110.526 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -64.92 -37.54 87.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.769 -0.65 . . . . 1.92 110.123 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.533 ' OH ' ' OD1' ' A' ' 62' ' ' ASP . 35.2 t80 -65.4 -50.42 65.57 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.638 -1.165 . . . . 0.94 109.269 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.771 HG12 HD11 ' A' ' 58' ' ' ILE . 81.0 mt -58.26 -53.57 44.34 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.182 0 CA-C-N 114.976 -1.011 . . . . 0.36 108.966 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.0 mt -56.46 -34.88 67.3 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.576 0.584 . . . . 0.48 112.576 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.83 -30.94 40.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.554 0.692 . . . . 1.38 111.282 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -87.72 4.1 45.44 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.776 0.798 . . . . 1.29 111.572 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 21.9 mm-40 -73.12 178.39 4.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.665 -1.152 . . . . 1.19 109.355 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.681 0 C-N-CA 123.851 0.861 . . . . 2.94 110.404 179.02 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.857 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.594 0 N-CA-C 108.696 -0.853 . . . . 1.75 108.696 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.4 -175.34 4.18 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.387 -0.597 . . . . 0.98 109.387 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 20.8 p -131.19 -177.0 4.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.711 -0.848 . . . . 0.65 108.711 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -69.45 -32.89 72.11 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 107.253 -1.388 . . . . 1.22 107.253 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -56.63 -59.66 4.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.091 -1.413 . . . . 2.63 108.969 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' THR . 60.7 mm-40 -62.7 -36.04 81.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.519 0.933 . . . . 1.91 113.519 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 68.7 mt -69.04 -63.05 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 C-N-CA 120.827 -0.349 . . . . 0.31 110.478 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 26' ' ' VAL . 79.5 t -57.72 -57.61 9.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 C-N-CA 123.206 0.602 . . . . 0.38 112.351 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.39 87.38 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 120.615 0.245 . . . . 0.43 111.295 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.12 -39.11 58.92 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.32 112.379 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD21 ' H8B' ' A' ' 101' ' ' SOO . 0.7 OUTLIER -52.8 -42.17 64.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 124.4 1.08 . . . . 0.81 110.967 179.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.06 -31.12 66.75 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 115.276 -0.874 . . . . 0.31 112.769 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.13 -49.74 74.65 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.15 0.5 . . . . 1.77 109.913 176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.064 -0.971 . . . . 0.42 109.132 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.739 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -56.47 -43.42 77.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.564 -0.744 . . . . 0.26 111.153 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 23.0 t-20 -66.34 -33.26 75.33 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 112.625 0.602 . . . . 0.49 112.625 -178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.21 -36.11 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.021 -0.672 . . . . 1.86 112.292 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 46' ' ' VAL . 65.2 mt -85.59 -52.19 12.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 112.399 0.518 . . . . 0.75 112.399 -178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.905 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -95.98 -27.3 15.2 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.954 0.407 . . . . 0.92 111.664 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.15 30.03 35.68 Favored Glycine 0 C--N 1.309 -0.967 0 C-N-CA 120.045 -1.074 . . . . 0.73 111.443 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.739 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.5 mm -91.58 140.25 25.23 Favored Pre-proline 0 C--N 1.306 -1.324 0 N-CA-C 108.532 -0.914 . . . . 0.53 108.532 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 69.5 Cg_exo -43.51 142.54 2.99 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.003 3.135 . . . . 0.44 113.828 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -77.05 9.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 113.49 0.922 . . . . 0.64 113.49 -173.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -136.97 12.29 3.1 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 109.194 -0.669 . . . . 2.19 109.194 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 39.0 t70 -103.76 -5.32 22.59 Favored 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 115.278 -0.874 . . . . 0.62 110.27 -176.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 HG11 ' A' ' 69' ' ' VAL . 27.6 t -97.33 74.18 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 106.63 -1.618 . . . . 0.63 106.63 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 29.1 mtpp -104.13 165.66 10.91 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.171 -0.922 . . . . 2.58 110.346 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 84.1 mt -46.37 -50.1 16.97 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.239 1.199 . . . . 0.84 114.239 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -99.74 52.14 0.92 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.288 1.042 . . . . 2.39 110.071 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.6 mmmt -130.08 109.13 10.6 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.186 -1.042 . . . . 1.92 108.186 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 68' ' ' THR . 17.0 m -71.27 142.84 50.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.255 -0.884 . . . . 1.23 111.109 -178.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 71.4 m-85 -66.54 -89.89 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 113.041 0.756 . . . . 1.05 113.041 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.511 HG22 ' S1 ' ' A' ' 101' ' ' SOO . 12.0 t -85.3 70.66 10.86 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 122.731 1.253 . . . . 1.55 110.648 -179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -171.31 -41.45 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 113.784 -1.553 . . . . 1.29 108.838 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 31' ' ' SER . 9.1 t70 -113.37 -60.02 1.94 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.201 -0.666 . . . . 1.71 109.201 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 mt -74.28 -60.08 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.43 -0.805 . . . . 0.89 110.657 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 64.94 102.17 0.04 OUTLIER 'General case' 0 CA--C 1.498 -1.033 0 C-N-CA 126.2 1.8 . . . . 2.15 112.395 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG13 ' HB2' ' A' ' 19' ' ' ALA . 23.4 t -98.71 53.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 107.735 -1.209 . . . . 1.42 107.735 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.54 25.06 2.53 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.407 1.483 . . . . 1.17 110.541 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.3 p 61.59 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 128.5 2.72 . . . . 0.97 112.762 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD12 ' N ' ' A' ' 42' ' ' SER . 3.4 pp -69.36 -27.57 65.45 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 112.543 0.572 . . . . 1.04 112.543 -176.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 41' ' ' LEU . 32.7 m -71.08 -12.48 61.54 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.556 -0.293 . . . . 1.07 111.153 -178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' ' H43' ' A' ' 101' ' ' SOO . 14.6 tmm? -52.29 -47.19 66.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.373 0.606 . . . . 1.39 109.887 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 28.4 t -58.47 -34.59 51.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.463 -1.244 . . . . 0.49 110.82 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.48 -40.73 73.44 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.668 -0.493 . . . . 0.69 109.668 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 18' ' ' ILE . 69.5 t -53.81 -45.0 61.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 N-CA-C 109.51 -0.552 . . . . 0.81 109.51 170.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.569 HG22 ' H7A' ' A' ' 101' ' ' SOO . 89.6 t -53.19 -52.19 32.75 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.915 0 O-C-N 123.531 0.519 . . . . 0.42 110.437 175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 44' ' ' VAL . 60.6 t -49.76 -52.43 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 123.586 0.754 . . . . 0.76 111.026 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -74.05 -25.97 60.14 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.68 -0.691 . . . . 0.34 111.034 -177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.32 -38.33 74.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.847 -0.797 . . . . 0.43 108.847 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 48.8 mt-10 -59.41 -36.56 76.1 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.926 -0.579 . . . . 1.92 109.653 175.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 10.1 tp10 -66.81 -58.4 5.13 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.641 -1.163 . . . . 2.49 109.997 174.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -56.46 -43.4 79.5 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 125.029 1.332 . . . . 2.92 113.909 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.4 m-85 -103.04 -3.11 26.43 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 119.685 -0.806 . . . . 0.49 111.697 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 63.22 28.59 15.88 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 122.239 1.019 . . . . 1.96 109.363 -172.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 76' ' ' ILE . 12.3 p -89.16 169.64 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 114.175 -1.375 . . . . 0.91 109.513 -177.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 13.6 mptt -131.97 112.15 12.15 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.379 -0.971 . . . . 3.32 108.379 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.637 HD11 HG12 ' A' ' 76' ' ' ILE . 25.2 mt -137.05 106.56 8.77 Favored Pre-proline 0 C--N 1.308 -1.218 0 C-N-CA 120.42 -0.512 . . . . 0.55 110.857 -177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 62' ' ' ASP . 40.6 Cg_endo -71.82 142.43 39.24 Favored 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 122.179 1.92 . . . . 0.72 110.906 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.59 -20.8 66.47 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 121.053 0.454 . . . . 1.18 112.15 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 15.3 t70 -66.82 -40.73 88.14 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.822 -0.626 . . . . 2.0 110.119 175.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 5.2 t70 -87.52 -32.83 19.21 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.77 -0.65 . . . . 1.34 111.766 -174.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 60' ' ' ASP . 11.4 p -63.47 -23.65 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.516 0.562 . . . . 0.57 112.516 -175.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 22.9 pttp -66.67 -1.41 3.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.565 0.95 . . . . 2.42 113.565 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -92.37 0.91 57.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 123.165 0.586 . . . . 1.25 112.179 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 71' ' ' ASP . 41.7 mt -102.28 149.6 24.15 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.048 -0.661 . . . . 0.57 111.697 -173.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.793 ' HG3' HG23 ' A' ' 68' ' ' THR . 8.6 ptpp? -111.58 -41.59 4.04 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.739 0.304 . . . . 2.91 111.092 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.793 HG23 ' HG3' ' A' ' 67' ' ' LYS . 63.1 p -133.41 -176.52 4.17 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.703 -0.48 . . . . 0.35 109.703 -173.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.611 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 3.7 m -81.16 -11.44 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.624 0 C-N-CA 119.489 -0.884 . . . . 0.34 109.179 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' O ' ' HE3' ' A' ' 74' ' ' LYS . . . -64.43 -46.79 89.47 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 107.643 -2.183 . . . . 0.36 107.643 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.679 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 94.1 m-20 -60.3 -55.24 36.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-N 114.215 -0.993 . . . . 1.84 108.967 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.46 -42.48 64.24 Favored 'General case' 0 C--O 1.19 -2.054 0 CA-C-N 114.75 -1.113 . . . . 0.25 113.32 -176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 99.3 m -55.3 -62.77 1.45 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.316 0.507 . . . . 0.29 111.038 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -63.47 -32.55 74.03 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.259 0.552 . . . . 1.92 111.493 -178.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CD2' HD11 ' A' ' 66' ' ' LEU . 85.5 t80 -67.28 -51.61 50.69 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.878 -1.055 . . . . 0.94 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG12 HD11 ' A' ' 58' ' ' ILE . 83.1 mt -65.83 -35.59 75.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.48 -0.782 . . . . 0.36 110.321 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 82.5 mt -59.22 -44.93 92.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.48 110.687 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.19 -42.38 72.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 1.38 110.755 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -72.44 4.31 3.93 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.812 1.782 . . . . 1.29 115.812 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HB3' HG23 ' A' ' 56' ' ' VAL . 11.7 pt20 -124.41 172.96 8.74 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 118.812 0.733 . . . . 1.19 111.606 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 107.207 -1.405 . . . . 2.94 107.207 176.685 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.659 ' H8B' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 108.851 -0.796 . . . . 1.75 108.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.4 123.08 27.73 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.676 -0.49 . . . . 0.98 109.676 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 61.3 p -80.36 -175.4 5.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 123.957 0.786 . . . . 0.65 110.997 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -37.18 85.99 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 109.398 -0.593 . . . . 1.22 109.398 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.44 -32.89 74.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.704 0.764 . . . . 2.63 109.639 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -84.26 -30.1 25.92 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.858 -0.61 . . . . 1.91 112.484 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.638 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 90.2 mt -73.65 -59.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 116.872 -0.149 . . . . 0.31 110.834 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.64 -62.65 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 C-N-CA 123.318 0.647 . . . . 0.38 110.978 -177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.33 -26.74 68.9 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.209 0.448 . . . . 0.43 112.209 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.77 -46.85 13.02 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.027 -0.606 . . . . 0.32 112.264 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -51.85 -47.29 64.5 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 124.059 0.943 . . . . 0.81 111.68 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.5 -34.08 66.62 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 123.982 0.801 . . . . 0.31 112.798 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -66.74 -36.78 83.25 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.766 0.317 . . . . 1.77 110.853 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG22 HG23 ' A' ' 46' ' ' VAL . 2.6 mp -86.47 -32.27 6.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.647 . . . . 0.42 109.686 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.729 HG12 ' HB ' ' A' ' 21' ' ' ILE . 55.7 t -60.05 -35.67 62.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.346 0.593 . . . . 0.26 109.909 175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 13.2 t-20 -68.49 -22.71 64.53 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.462 -0.79 . . . . 0.49 111.006 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -82.09 -55.04 4.81 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.333 0.587 . . . . 1.86 109.922 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.508 HG13 ' HB ' ' A' ' 46' ' ' VAL . 47.6 mm -69.88 -52.18 33.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.801 -1.091 . . . . 0.75 111.489 -174.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 38' ' ' VAL . . . -105.75 -23.91 12.62 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 112.226 0.454 . . . . 0.92 112.226 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 82.88 27.76 40.39 Favored Glycine 0 C--N 1.317 -0.496 0 C-N-CA 120.447 -0.882 . . . . 0.73 111.468 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -88.03 137.23 31.47 Favored Pre-proline 0 C--N 1.311 -1.073 0 N-CA-C 109.261 -0.644 . . . . 0.53 109.261 -178.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 24' ' ' GLU . 2.7 Cg_endo -43.31 129.41 6.28 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 124.063 3.175 . . . . 0.44 113.436 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.0 m -70.67 19.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.299 1.439 . . . . 0.64 113.485 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.6 pt-20 -135.21 -3.24 2.46 Favored 'General case' 0 C--N 1.285 -2.226 0 CA-C-N 115.881 -0.6 . . . . 2.19 109.636 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 36.4 t70 -103.0 -8.11 20.88 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.425 0.631 . . . . 0.62 112.104 -170.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 50.3 t -89.54 72.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 N-CA-C 106.672 -1.603 . . . . 0.63 106.672 -178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -100.72 160.58 14.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.145 -1.389 . . . . 2.58 110.482 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 73.0 mt -48.36 -39.63 22.86 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.905 1.817 . . . . 0.84 115.905 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -98.0 28.04 4.19 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.719 0.771 . . . . 2.39 110.963 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE2' ' O ' ' A' ' 25' ' ' ASP . 19.3 mmmt -113.38 129.73 56.46 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.678 -0.86 . . . . 1.92 108.678 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.655 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 6.4 m -84.42 137.69 33.25 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 109.444 -0.576 . . . . 1.23 109.444 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.622 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.4 m-85 -54.81 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.63 0.604 . . . . 1.05 112.63 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -86.92 53.18 2.74 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.344 0.592 . . . . 1.55 111.843 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.4 t70 -160.4 -56.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.566 -0.743 . . . . 1.29 110.834 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.43 -31.95 13.75 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.71 110.402 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 32' ' ' PHE . 81.9 mt -89.98 -57.18 2.95 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.553 -0.749 . . . . 0.89 110.468 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 75.94 94.28 0.07 Allowed 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 125.125 1.37 . . . . 2.15 110.892 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 46' ' ' VAL . 11.7 t -113.95 51.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 N-CA-C 107.599 -1.26 . . . . 1.42 107.599 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 70.49 -54.65 0.64 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.698 1.599 . . . . 1.17 113.035 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.453 ' O ' ' H37' ' A' ' 101' ' ' SOO 0.343 53.5 p 106.87 -40.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 129.199 3.0 . . . . 0.97 113.414 -179.198 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 42' ' ' SER 0.275 3.8 pp -89.88 -45.38 9.28 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.086 -0.645 . . . . 1.04 111.922 171.425 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 56.1 m -68.55 -12.09 60.81 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.172 0.804 . . . . 1.07 113.172 -177.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.535 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -55.7 -22.42 23.36 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 114.06 1.133 . . . . 1.39 114.06 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.64 -29.53 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.678 -0.639 . . . . 0.49 109.824 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.83 -29.49 62.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.696 -0.683 . . . . 0.69 111.252 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.755 HG23 HG22 ' A' ' 14' ' ' ILE . 14.4 p -75.96 -28.58 19.09 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.403 0 C-N-CA 119.84 -0.744 . . . . 0.81 109.305 175.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 50.0 t -66.74 -55.85 16.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 109.047 -0.723 . . . . 0.42 109.047 176.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.64 -34.8 30.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-O 121.121 0.486 . . . . 0.76 111.684 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -86.03 -23.54 26.76 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.046 -0.409 . . . . 0.34 111.147 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -37.72 73.48 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.378 -0.971 . . . . 0.43 108.378 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.569 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 mt-10 -58.78 -44.29 90.62 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 108.78 -0.822 . . . . 1.92 108.78 174.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 35.2 tt0 -63.06 -30.25 71.45 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-N 114.092 -1.413 . . . . 2.49 110.84 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -84.48 -49.59 8.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.894 0.701 . . . . 2.92 112.894 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 14.5 m-85 -92.77 -8.63 43.17 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 121.193 -0.203 . . . . 0.49 111.239 -174.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.2 t70 70.52 18.66 6.48 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 122.908 1.337 . . . . 1.96 108.584 -173.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 51' ' ' GLU . 9.7 p -79.23 167.88 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 114.094 -1.412 . . . . 0.91 108.14 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 12.2 mptt -134.66 105.94 6.73 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 106.24 -1.763 . . . . 3.32 106.24 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD11 HG12 ' A' ' 76' ' ' ILE . 54.1 mt -137.88 109.54 8.49 Favored Pre-proline 0 C--N 1.292 -1.932 0 N-CA-C 107.903 -1.147 . . . . 0.55 107.903 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' A' ' 62' ' ' ASP . 5.3 Cg_exo -73.5 168.14 25.52 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 C-N-CA 122.274 1.983 . . . . 0.72 110.792 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 3.6 p-10 -71.51 -16.62 62.34 Favored 'General case' 0 C--O 1.212 -0.915 0 C-N-CA 120.455 -0.498 . . . . 1.18 110.377 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.02 -47.42 86.5 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.295 0.569 . . . . 2.0 109.981 174.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.496 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -68.58 -43.17 77.1 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.2 -0.909 . . . . 1.34 112.261 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG23 HD12 ' A' ' 66' ' ' LEU . 8.0 p -62.0 -22.83 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 113.395 0.887 . . . . 0.57 113.395 -173.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' ' O40' ' A' ' 101' ' ' SOO . 55.8 mttm -66.5 -7.8 22.21 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.873 0.368 . . . . 2.42 111.734 -177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -111.32 4.64 19.23 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.511 -0.313 . . . . 1.25 111.194 -175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.61 HD12 HG23 ' A' ' 63' ' ' VAL . 50.7 mt -80.66 159.32 25.35 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.942 0.401 . . . . 0.57 111.553 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.7 -60.19 0.99 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.936 -0.575 . . . . 2.91 110.206 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 37.0 p -124.77 -176.85 3.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.116 -1.068 . . . . 0.35 108.116 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 5.2 m -85.75 -10.81 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 C-N-CA 119.17 -1.012 . . . . 0.34 110.014 172.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.7 -48.1 57.78 Favored Glycine 0 CA--C 1.494 -1.261 0 N-CA-C 108.862 -1.695 . . . . 0.36 108.862 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 35.9 t70 -65.43 -44.5 87.12 Favored 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 108.281 -1.007 . . . . 1.84 108.281 175.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -60.31 -37.93 82.09 Favored 'General case' 0 C--O 1.19 -2.028 0 CA-C-N 115.214 -0.903 . . . . 0.25 112.882 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 51.6 m -58.81 -59.26 5.71 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.193 0.451 . . . . 0.29 109.979 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 77' ' ' LEU . 4.9 mptp? -56.13 -38.49 70.86 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.394 0.616 . . . . 1.92 110.565 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 17.5 t80 -62.07 -55.44 29.07 Favored 'General case' 0 N--CA 1.426 -1.639 0 CA-C-N 114.437 -1.256 . . . . 0.94 109.588 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.467 HG12 HD11 ' A' ' 58' ' ' ILE . 92.5 mt -61.53 -39.17 82.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 123.585 0.754 . . . . 0.36 110.535 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' LYS . 91.8 mt -56.49 -40.7 75.37 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 123.29 0.369 . . . . 0.48 111.196 177.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -88.56 -32.43 18.15 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 121.125 0.488 . . . . 1.38 111.376 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 1.1 t-80 -86.85 2.66 48.29 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.032 -0.531 . . . . 1.29 111.777 -175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' CA ' HG23 ' A' ' 56' ' ' VAL . 3.2 pt20 -88.64 109.86 20.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.947 0.88 . . . . 1.19 110.484 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -1.8 0 CA-C-N 115.308 -0.86 . . . . 2.94 108.771 -178.504 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.618 ' O40' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.758 0 N-CA-C 109.395 -0.595 . . . . 1.75 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.65 136.49 3.74 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.101 -1.074 . . . . 0.98 108.101 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 7' ' ' ILE . 73.7 p -85.06 -174.95 5.54 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.861 -0.422 . . . . 0.65 109.861 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tm0? -59.29 -47.35 85.72 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 117.621 0.191 . . . . 1.22 111.305 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.68 -40.57 95.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.509 -0.314 . . . . 2.63 111.245 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' OG1' ' A' ' 3' ' ' THR . 20.6 mm-40 -64.52 -41.66 96.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 1.91 110.061 -178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.748 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.4 mt -62.82 -63.62 0.8 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 CA-C-N 115.474 -0.784 . . . . 0.31 110.231 176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 4' ' ' GLN . 58.4 t -55.49 -54.05 29.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 123.359 0.664 . . . . 0.38 112.138 -176.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.41 83.65 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.368 -0.208 . . . . 0.43 111.504 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -43.79 97.27 Favored Glycine 0 C--N 1.333 0.379 0 O-C-N 123.586 0.554 . . . . 0.32 112.05 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.1 -46.99 54.08 Favored 'General case' 0 CA--C 1.482 -1.654 0 C-N-CA 123.591 0.756 . . . . 0.81 112.497 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 123.523 0.514 . . . . 0.31 112.381 -176.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.74 -44.84 63.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.341 -0.614 . . . . 1.77 109.341 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 46' ' ' VAL . 1.9 mp -65.11 -43.31 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.534 0.683 . . . . 0.42 109.658 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 21' ' ' ILE . 53.9 t -62.02 -34.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-O 121.425 0.631 . . . . 0.26 110.774 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.848 -0.615 . . . . 0.49 111.375 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 18' ' ' ILE . 15.6 pt-20 -79.64 -40.63 28.74 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.472 -0.491 . . . . 1.86 111.561 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 46' ' ' VAL . 66.1 mt -82.62 -52.77 12.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.612 0.244 . . . . 0.75 111.649 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.94 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -92.56 -48.51 6.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.203 0.525 . . . . 0.92 111.091 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 22.46 7.34 Favored Glycine 0 N--CA 1.441 -1.01 0 C-N-CA 120.732 -0.746 . . . . 0.73 111.467 -177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' A' ' 15' ' ' VAL . 39.5 mm -84.83 136.52 38.87 Favored Pre-proline 0 C--N 1.309 -1.163 0 N-CA-C 108.678 -0.86 . . . . 0.53 108.678 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.736 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 74.4 Cg_exo -43.93 144.17 2.69 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.013 3.142 . . . . 0.44 114.108 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.709 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.5 m -79.34 2.64 2.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.738 -0.664 . . . . 0.64 112.564 -175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.83 3.91 12.94 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.374 -0.973 . . . . 2.19 108.374 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.736 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.4 t70 -103.55 -17.54 15.14 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.224 -0.898 . . . . 0.62 112.142 -170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 43.3 t -96.79 77.54 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 N-CA-C 107.979 -1.119 . . . . 0.63 107.979 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -117.59 170.65 8.59 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 115.64 -0.709 . . . . 2.58 111.014 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.536 ' HA ' HG23 ' A' ' 69' ' ' VAL . 86.3 mt -54.38 5.89 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 120.102 3.371 . . . . 0.84 120.102 -167.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.75 19.51 3.29 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 120.105 1.321 . . . . 2.39 109.173 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HE2' ' HB3' ' A' ' 35' ' ' ASP . 14.3 mmmm -103.46 127.74 50.78 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.957 -0.757 . . . . 1.92 108.957 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.798 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 37.8 t -87.59 132.19 34.15 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.889 -0.782 . . . . 1.23 108.889 178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.592 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 96.9 m-85 -58.35 -56.19 25.35 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.949 -0.569 . . . . 1.05 110.356 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -84.79 34.64 0.54 Allowed 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 113.717 1.006 . . . . 1.55 113.717 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 33.3 t70 -158.51 -62.33 0.08 Allowed 'General case' 0 C--N 1.315 -0.893 0 O-C-N 121.837 -0.539 . . . . 1.29 111.0 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HB3' ' HE2' ' A' ' 30' ' ' LYS . 14.2 m-20 -77.08 -48.12 18.65 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.965 -0.562 . . . . 1.71 110.804 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 32' ' ' PHE . 45.1 mt -82.05 -66.93 0.83 Allowed 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.177 -0.919 . . . . 0.89 110.909 -174.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 72.45 100.41 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.663 1.585 . . . . 2.15 111.419 -173.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG13 ' HB2' ' A' ' 19' ' ' ALA . 24.1 t -102.87 51.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 107.076 -1.453 . . . . 1.42 107.076 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.8 t70 64.08 7.34 3.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.794 1.238 . . . . 1.17 110.735 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.276 71.5 p 60.47 -36.5 0.09 Allowed 'General case' 0 C--O 1.208 -1.1 0 C-N-CA 128.378 2.671 . . . . 0.97 115.387 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 42' ' ' SER . 3.9 pp -87.81 -32.92 18.81 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.545 -0.722 . . . . 1.04 110.637 172.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.535 ' N ' HD12 ' A' ' 41' ' ' LEU . 40.0 m -74.15 -11.45 60.31 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 113.026 0.75 . . . . 1.07 113.026 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.695 ' HE3' ' H2 ' ' A' ' 101' ' ' SOO . 0.9 OUTLIER -58.39 -27.1 63.95 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.115 0.784 . . . . 1.39 113.115 179.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.4 t -69.86 -24.0 26.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.427 0.632 . . . . 0.49 109.742 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -71.79 -40.6 69.1 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.827 -0.805 . . . . 0.69 108.827 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 18' ' ' ILE . 65.7 t -55.63 -49.41 74.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.633 0 O-C-N 123.619 0.574 . . . . 0.81 109.462 171.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.723 HG22 ' H6 ' ' A' ' 101' ' ' SOO . 44.0 t -47.17 -60.22 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 124.184 0.927 . . . . 0.42 109.859 177.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.69 -44.94 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 123.805 0.842 . . . . 0.76 112.682 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.45 44.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.958 0.409 . . . . 0.34 111.075 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.83 -35.55 74.85 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.788 -0.819 . . . . 0.43 108.788 176.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.757 ' HA ' HG12 ' A' ' 56' ' ' VAL . 46.2 mt-10 -58.1 -42.59 86.03 Favored 'General case' 0 CA--C 1.5 -0.974 0 CA-C-N 115.58 -0.736 . . . . 1.92 109.855 174.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.92 -50.56 68.21 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.845 -1.07 . . . . 2.49 109.078 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -62.42 -47.85 82.29 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.059 1.133 . . . . 2.92 114.059 -175.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.748 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 12.5 m-85 -92.54 -4.04 54.14 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 120.549 -0.46 . . . . 0.49 110.822 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.03 40.97 21.58 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 123.445 1.593 . . . . 1.96 107.169 -172.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 51' ' ' GLU . 5.6 p -100.42 169.26 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 CA-C-N 113.51 -1.677 . . . . 0.91 107.812 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 3.3 mptp? -136.45 107.17 6.57 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 107.444 -1.317 . . . . 3.32 107.444 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.615 HD11 HG12 ' A' ' 76' ' ' ILE . 15.6 mt -138.27 102.79 8.07 Favored Pre-proline 0 C--N 1.295 -1.802 0 N-CA-C 109.051 -0.722 . . . . 0.55 109.051 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.08 170.32 20.41 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 122.004 1.803 . . . . 0.72 110.607 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.685 ' HA ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -62.97 -27.05 69.13 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 1.18 112.464 -177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.55 -42.96 98.35 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.965 -0.754 . . . . 2.0 108.965 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' OD2' ' OH ' ' A' ' 75' ' ' TYR . 2.5 m-20 -72.39 -37.87 68.6 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 114.543 -1.208 . . . . 1.34 112.392 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.2 p -68.58 -23.17 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 121.52 0.676 . . . . 0.57 111.707 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HA ' ' H42' ' A' ' 101' ' ' SOO . 57.0 mtmt -72.39 -2.34 18.97 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.867 -0.52 . . . . 2.42 111.359 177.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -100.67 3.53 42.49 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.393 0.677 . . . . 1.25 110.385 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD12 HG23 ' A' ' 63' ' ' VAL . 90.7 mt -98.59 -178.27 3.94 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 111.964 0.357 . . . . 0.57 111.964 -177.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -158.97 -67.54 0.08 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.751 0.786 . . . . 2.91 109.38 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.798 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 80.7 p -112.52 -176.81 3.0 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.741 -0.836 . . . . 0.35 108.741 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.7 m -79.31 -12.16 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.395 0 C-N-CA 120.027 -0.669 . . . . 0.34 109.831 173.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -69.42 -42.52 73.5 Favored Glycine 0 CA--C 1.494 -1.22 0 N-CA-C 107.94 -2.064 . . . . 0.36 107.94 177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -65.91 -52.11 52.86 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 107.831 -1.174 . . . . 1.84 107.831 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -52.59 -49.85 64.22 Favored 'General case' 0 C--O 1.196 -1.758 0 CA-C-N 114.499 -1.228 . . . . 0.25 112.359 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 98.1 m -51.66 -51.22 57.52 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.203 0.314 . . . . 0.29 111.293 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 57.6 mmtt -69.29 -36.65 77.27 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.421 0.629 . . . . 1.92 109.583 -174.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' OH ' ' OD2' ' A' ' 62' ' ' ASP . 15.5 t80 -70.18 -41.35 73.86 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.893 -1.049 . . . . 0.94 109.571 -177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD11 ' A' ' 58' ' ' ILE . 92.1 mt -65.26 -39.68 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.132 0 CA-C-N 115.167 -0.924 . . . . 0.36 109.434 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 73' ' ' THR . 97.3 mt -58.61 -37.14 75.23 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 123.219 0.325 . . . . 0.48 110.667 176.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -69.51 -54.45 14.15 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.211 0.529 . . . . 1.38 111.456 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -81.88 4.61 21.77 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 115.766 1.765 . . . . 1.29 115.766 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.647 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 3.1 pt20 -96.91 161.03 14.03 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 119.907 -0.717 . . . . 1.19 110.276 -178.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.165 0 N-CA-C 107.221 -1.4 . . . . 2.94 107.221 173.559 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.723 ' H6 ' HG22 ' A' ' 47' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.496 -0.927 . . . . 1.75 108.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' ' 80' ' ' GLN . . . -97.51 173.97 6.9 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.904 -0.406 . . . . 0.98 109.904 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 36.5 p -132.6 -177.44 4.48 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.311 -0.996 . . . . 0.65 108.311 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -32.65 74.22 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.03 -0.73 . . . . 1.22 109.03 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.11 -54.91 38.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.412 -0.813 . . . . 2.63 109.408 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 3' ' ' THR . 54.4 mm-40 -65.99 -36.35 83.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 113.166 0.802 . . . . 1.91 113.166 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 73' ' ' THR . 78.9 mt -69.33 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.184 0 CA-C-O 119.312 -0.375 . . . . 0.31 111.392 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.92 -62.99 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.948 0 CA-C-O 120.764 0.316 . . . . 0.38 111.133 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.96 -29.56 70.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.065 -0.516 . . . . 0.43 111.521 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.47 -48.75 8.83 Favored Glycine 0 N--CA 1.439 -1.164 0 C-N-CA 120.954 -0.641 . . . . 0.32 111.941 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -53.35 -46.15 69.43 Favored 'General case' 0 CA--C 1.505 -0.775 0 C-N-CA 124.908 1.283 . . . . 0.81 110.164 -179.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -56.02 -34.37 65.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.077 -0.965 . . . . 0.31 113.3 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.48 -33.69 69.52 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.733 -0.387 . . . . 1.77 111.364 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 HG13 ' A' ' 46' ' ' VAL . 2.6 mp -78.37 -36.92 21.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.481 -0.933 . . . . 0.42 108.481 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG12 ' HB ' ' A' ' 21' ' ' ILE . 64.7 t -60.1 -37.15 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.26 110.235 175.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -65.59 -24.86 67.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 115.718 -0.674 . . . . 0.49 111.12 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -82.95 -58.32 2.92 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.36 0.6 . . . . 1.86 110.382 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HG22 ' A' ' 46' ' ' VAL . 35.1 mm -68.58 -52.49 35.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.373 -0.83 . . . . 0.75 110.842 -175.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.59 -53.04 3.56 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 120.863 0.363 . . . . 0.92 111.33 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.26 2.24 13.66 Favored Glycine 0 C--N 1.311 -0.845 0 C-N-CA 120.308 -0.948 . . . . 0.73 112.639 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HB ' HG12 ' A' ' 15' ' ' VAL . 37.0 mm -67.05 135.71 94.02 Favored Pre-proline 0 C--O 1.238 0.48 0 C-N-CA 122.928 0.491 . . . . 0.53 110.432 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 95.8 Cg_exo -46.75 146.38 5.64 Favored 'Trans proline' 0 C--O 1.245 0.85 0 C-N-CA 124.279 3.32 . . . . 0.44 114.081 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.481 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 30.7 m -73.2 8.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 114.434 1.272 . . . . 0.64 114.434 -173.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -137.68 5.79 2.67 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.306 -0.998 . . . . 2.19 108.306 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.6 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 24.2 t0 -106.44 1.56 25.67 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.852 0.834 . . . . 0.62 112.405 -170.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 HG11 ' A' ' 69' ' ' VAL . 49.0 t -92.36 70.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 N-CA-C 104.997 -2.223 . . . . 0.63 104.997 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 58.9 mttp -85.93 157.0 20.26 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 113.34 -1.755 . . . . 2.58 112.502 -170.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 69' ' ' VAL . 75.2 mt -48.17 -41.3 26.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.388 1.075 . . . . 0.84 113.766 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -96.23 18.11 14.4 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.857 0.688 . . . . 2.39 112.857 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 10.9 mmpt? -102.72 123.41 46.35 Favored 'General case' 0 N--CA 1.422 -1.844 0 N-CA-C 107.683 -1.228 . . . . 1.92 107.683 178.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.63 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.4 t -88.85 137.84 31.95 Favored 'General case' 0 N--CA 1.415 -2.201 0 N-CA-C 106.782 -1.562 . . . . 1.23 106.782 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 97.1 m-85 -54.98 -65.0 0.66 Allowed 'General case' 0 C--N 1.31 -1.111 0 O-C-N 123.948 0.78 . . . . 1.05 110.638 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -96.17 70.97 2.82 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-O 121.722 0.773 . . . . 1.55 109.437 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.7 t70 -177.61 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 113.757 -1.565 . . . . 1.29 107.844 -178.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -103.0 -60.46 1.54 Allowed 'General case' 0 CA--C 1.496 -1.107 0 CA-C-O 121.556 0.693 . . . . 1.71 110.324 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 HD22 HG21 ' A' ' 21' ' ' ILE . 72.8 mt -70.2 -57.36 5.0 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 114.802 1.408 . . . . 0.89 114.802 -168.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 t70 72.26 95.36 0.07 Allowed 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.385 -0.969 . . . . 2.15 108.385 -168.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 43' ' ' MET . 12.0 p -112.32 25.02 3.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 CA-C-O 123.349 1.547 . . . . 1.42 107.416 -177.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 17.4 t70 71.77 -9.94 0.9 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 112.456 -2.156 . . . . 1.17 112.868 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.486 ' HB2' H43A ' A' ' 101' ' ' SOO . 89.5 p 61.43 -49.02 0.13 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 126.763 2.025 . . . . 0.97 115.127 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 42' ' ' SER . 4.4 pp -85.52 -37.92 19.11 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.268 0.556 . . . . 1.04 110.335 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.565 ' N ' HD12 ' A' ' 41' ' ' LEU . 29.6 m -78.69 -12.57 60.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.965 -0.754 . . . . 1.07 108.965 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.548 ' HB2' HG13 ' A' ' 38' ' ' VAL . 13.5 tmm? -50.68 -43.06 57.38 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.171 -0.922 . . . . 1.39 111.696 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 48' ' ' VAL . 39.6 t -55.92 -27.1 22.1 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.469 -0.787 . . . . 0.49 111.373 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.33 -28.6 47.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.918 -0.583 . . . . 0.69 110.872 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 HG13 ' A' ' 18' ' ' ILE . 54.6 t -62.4 -50.33 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 N-CA-C 106.222 -1.77 . . . . 0.81 106.222 170.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 57.5 t -49.57 -51.42 15.06 Favored 'Isoleucine or valine' 0 C--O 1.19 -2.069 0 CA-C-N 114.44 -1.255 . . . . 0.42 110.799 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 88.1 t -45.21 -52.28 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 121.557 0.694 . . . . 0.76 111.43 177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -74.82 -28.41 60.69 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.82 -0.627 . . . . 0.34 110.745 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.01 76.34 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.669 -0.493 . . . . 0.43 109.669 176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 48.3 mt-10 -58.7 -49.26 78.25 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.129 -1.063 . . . . 1.92 108.129 175.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -55.97 -46.11 78.72 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.019 -1.446 . . . . 2.49 110.823 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -73.37 -47.87 38.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.404 -0.816 . . . . 2.92 112.945 -174.157 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 21.2 m-85 -89.35 -0.78 57.74 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 113.286 0.847 . . . . 0.49 113.286 -172.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 66.05 27.37 10.63 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 123.09 1.424 . . . . 1.96 108.126 -176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.8 p -106.37 -171.24 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.793 0 CA-C-N 114.588 -1.187 . . . . 0.91 107.976 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.713 ' H ' HG22 ' A' ' 56' ' ' VAL . 21.6 tptp -165.86 116.41 1.03 Allowed 'General case' 0 C--N 1.281 -2.376 0 N-CA-C 104.526 -2.398 . . . . 3.32 104.526 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.697 HD11 HG12 ' A' ' 76' ' ' ILE . 11.6 mt -134.33 104.0 11.37 Favored Pre-proline 0 C--N 1.282 -2.363 0 N-CA-C 107.748 -1.205 . . . . 0.55 107.748 -176.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.64 165.46 29.32 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.235 1.957 . . . . 0.72 111.073 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.683 ' HA ' HG12 ' A' ' 63' ' ' VAL . 8.7 p-10 -64.8 -26.97 68.57 Favored 'General case' 0 C--O 1.208 -1.126 0 N-CA-C 112.474 0.546 . . . . 1.18 112.474 -176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.73 -36.17 81.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.486 0.66 . . . . 2.0 110.41 175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.79 -38.26 28.8 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.329 -0.851 . . . . 1.34 112.002 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 60' ' ' ASP . 9.6 p -64.5 -22.88 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 112.074 0.398 . . . . 0.57 112.074 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 93.8 mttt -63.37 -14.24 47.98 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.222 0.534 . . . . 2.42 111.447 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -88.21 -1.35 57.97 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.062 -0.517 . . . . 1.25 110.999 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 72' ' ' ALA . 88.1 mt -91.42 162.17 14.69 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.955 0.724 . . . . 0.57 112.955 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -146.15 -74.7 0.22 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.505 -0.771 . . . . 2.91 109.129 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.603 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.1 p -102.59 -176.09 3.0 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 107.786 -1.19 . . . . 0.35 107.786 177.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.741 HG11 HG12 ' A' ' 26' ' ' VAL 0.287 6.6 m -83.85 -10.89 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.368 0 C-N-CA 118.238 -1.385 . . . . 0.34 110.39 172.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.77 -46.06 70.61 Favored Glycine 0 CA--C 1.495 -1.193 0 N-CA-C 107.596 -2.202 . . . . 0.36 107.596 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.23 -45.45 93.26 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 113.608 -1.296 . . . . 1.84 109.167 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -59.66 -48.6 81.04 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.271 -0.877 . . . . 0.25 111.802 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.601 ' HA ' HG21 ' A' ' 7' ' ' ILE . 99.8 m -51.91 -60.98 2.55 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 123.565 0.541 . . . . 0.29 110.868 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -56.15 -41.69 75.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.483 0.489 . . . . 1.92 111.492 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.409 ' CG ' HD21 ' A' ' 66' ' ' LEU . 26.6 t80 -64.49 -47.73 77.84 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.783 -0.644 . . . . 0.94 109.677 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.697 HG12 HD11 ' A' ' 58' ' ' ILE . 91.3 mt -61.97 -47.58 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 115.457 -0.792 . . . . 0.36 109.257 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 73' ' ' THR . 87.9 mt -53.87 -48.64 69.84 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.873 0.733 . . . . 0.48 111.865 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.52 -36.72 79.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.446 0.536 . . . . 1.38 112.446 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -78.55 -33.57 47.71 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.076 0.399 . . . . 1.29 112.076 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 2' ' ' ALA . 4.0 pt20 -75.49 -169.84 1.11 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 112.213 0.449 . . . . 1.19 112.213 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.376 0 C-N-CA 125.172 1.389 . . . . 2.94 110.549 -177.004 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.486 H43A ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.879 0 N-CA-C 109.573 -0.529 . . . . 1.75 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 171.22 8.52 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.735 -1.209 . . . . 0.98 107.735 175.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.4 p -95.43 178.06 5.62 Favored 'General case' 0 C--N 1.294 -1.822 0 C-N-CA 119.653 -0.819 . . . . 0.65 109.256 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -34.38 69.12 Favored 'General case' 0 N--CA 1.419 -1.995 0 N-CA-C 108.024 -1.102 . . . . 1.22 108.024 175.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.56 -44.59 96.75 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.663 -0.698 . . . . 2.63 110.815 175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.13 -43.16 99.16 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 121.308 -0.157 . . . . 1.91 110.722 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 71.9 mt -63.5 -62.77 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 O-C-N 123.513 0.508 . . . . 0.31 111.0 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.24 -58.59 3.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 123.296 0.638 . . . . 0.38 111.951 -176.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.96 82.25 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 111.817 0.302 . . . . 0.43 111.817 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.04 -41.5 54.32 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.49 -0.644 . . . . 0.32 111.49 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -54.03 -49.29 69.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 123.926 0.89 . . . . 0.81 109.016 178.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.75 -34.48 69.59 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-N 114.233 -1.349 . . . . 0.31 112.486 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -65.8 -43.65 88.06 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 120.607 0.242 . . . . 1.77 110.803 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG22 HG13 ' A' ' 46' ' ' VAL . 2.4 mp -74.6 -35.94 39.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.455 0.645 . . . . 0.42 109.552 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG12 ' HB ' ' A' ' 21' ' ' ILE . 73.8 t -62.45 -42.07 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.26 110.531 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.74 -37.84 85.74 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 122.977 0.511 . . . . 0.49 111.848 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.31 -23.88 32.4 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.711 1.004 . . . . 1.86 113.711 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 46' ' ' VAL . 60.3 mt -103.44 -52.83 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 112.108 0.411 . . . . 0.75 112.108 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.822 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -87.47 -34.75 18.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.047 0.451 . . . . 0.92 110.365 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.24 28.28 13.65 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 120.812 -0.709 . . . . 0.73 112.431 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.7 mm -96.67 132.55 25.98 Favored Pre-proline 0 C--N 1.308 -1.221 0 N-CA-C 109.007 -0.738 . . . . 0.53 109.007 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 94.5 Cg_exo -45.92 143.03 7.35 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.962 3.108 . . . . 0.44 113.047 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.803 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 26.9 m -70.07 -23.76 25.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 113.74 1.015 . . . . 0.64 113.74 -173.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -98.18 10.33 40.8 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.738 -0.601 . . . . 2.19 110.336 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 32.8 t70 -106.8 -14.64 14.94 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.572 -0.74 . . . . 0.62 110.792 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.744 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 61.9 t -91.64 81.08 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 N-CA-C 105.226 -2.138 . . . . 0.63 105.226 175.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 34.8 mmtm -117.9 170.01 9.17 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 113.857 -1.519 . . . . 2.58 110.668 -175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD22 ' HA2' ' A' ' 70' ' ' GLY . 94.2 mt -47.68 -46.71 29.56 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.574 1.694 . . . . 0.84 115.574 -171.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.7 26.2 4.14 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.019 0.914 . . . . 2.39 111.011 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' HB3' ' A' ' 35' ' ' ASP . 27.9 mmmt -107.24 114.85 29.16 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.675 -0.861 . . . . 1.92 108.675 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.6 m -81.82 141.17 33.7 Favored 'General case' 0 C--O 1.265 1.869 0 CA-C-O 121.576 0.703 . . . . 1.23 111.501 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CZ ' ' H6 ' ' A' ' 101' ' ' SOO . 94.3 m-85 -73.69 159.82 32.46 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 108.272 -1.01 . . . . 1.05 108.272 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 37' ' ' ASP . 65.1 p 49.66 25.68 1.55 Allowed 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 124.546 1.138 . . . . 1.55 113.444 -173.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.9 t70 -151.23 -74.43 0.15 Allowed 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 110.08 -0.341 . . . . 1.29 110.08 -177.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.657 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 28.1 m-20 -82.19 -38.69 24.23 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 108.947 -0.761 . . . . 1.71 108.947 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 mt -97.07 -66.23 0.91 Allowed 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.618 -1.174 . . . . 0.89 109.152 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 33.8 t70 62.06 112.23 0.02 OUTLIER 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 113.958 -1.474 . . . . 2.15 111.905 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.822 HG13 ' HB2' ' A' ' 19' ' ' ALA . 15.7 t -104.87 45.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 N-CA-C 107.459 -1.311 . . . . 1.42 107.459 178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.703 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 34.1 t70 59.35 23.86 12.37 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.758 -1.11 . . . . 1.17 109.83 177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p 54.31 -62.83 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 128.58 2.752 . . . . 0.97 115.322 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 42' ' ' SER . 1.3 pp -80.01 -26.02 40.02 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.142 0.496 . . . . 1.04 111.465 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 39' ' ' ASP . 23.0 t -75.24 -13.06 60.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.826 0.822 . . . . 1.07 109.036 -178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.455 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 12.6 tmm? -54.62 -44.38 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.75 -1.113 . . . . 1.39 110.951 178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 43.0 t -54.31 -41.1 51.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 114.428 -1.26 . . . . 0.49 110.455 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.51 -43.39 98.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.39 -0.823 . . . . 0.69 109.802 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 18' ' ' ILE . 44.8 t -57.68 -55.0 24.0 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 CA-C-O 119.433 -0.317 . . . . 0.81 110.42 172.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 63' ' ' VAL . 93.6 t -47.63 -49.13 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 123.778 0.831 . . . . 0.42 112.653 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 65.7 t -51.81 -41.94 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 CA-C-O 120.724 0.297 . . . . 0.76 111.324 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 52' ' ' GLU . . . -86.85 -33.47 19.8 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 122.537 0.335 . . . . 0.34 111.202 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ARG . . . -63.09 -53.81 47.85 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 122.876 0.47 . . . . 0.43 109.965 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.55 -27.27 67.61 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 116.308 -0.405 . . . . 1.92 111.336 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 49' ' ' ALA . 38.4 tt0 -61.51 -41.33 97.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 122.082 0.944 . . . . 2.49 108.63 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 12.4 tpt180 -69.73 -31.76 69.93 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 125.305 1.442 . . . . 2.92 110.96 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.604 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 16.3 m-85 -98.61 1.12 46.07 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 112.206 0.447 . . . . 0.49 112.206 -176.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 67.4 30.56 6.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.721 0.772 . . . . 1.96 111.514 -178.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.766 HG12 ' H ' ' A' ' 57' ' ' LYS . 2.2 t -117.74 -151.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 N-CA-C 106.523 -1.658 . . . . 0.91 106.523 178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.766 ' H ' HG12 ' A' ' 56' ' ' VAL . 21.0 tptm 171.69 118.5 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 127.786 2.434 . . . . 3.32 106.338 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.424 HD11 HG12 ' A' ' 76' ' ' ILE . 52.4 mt -115.22 111.63 44.53 Favored Pre-proline 0 C--N 1.283 -2.3 0 N-CA-C 107.88 -1.155 . . . . 0.55 107.88 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.2 Cg_endo -62.31 162.6 23.05 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.559 2.173 . . . . 0.72 111.43 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.6 p30 -64.77 -27.25 68.77 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.798 1.036 . . . . 1.18 113.798 -172.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -73.03 -27.88 62.02 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 121.279 0.561 . . . . 2.0 110.822 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.613 ' HB3' ' OH ' ' A' ' 75' ' ' TYR . 3.2 m-20 -84.0 -47.29 11.13 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.332 -0.849 . . . . 1.34 111.07 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG21 HG21 ' A' ' 47' ' ' VAL . 13.7 p -65.86 -26.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.805 1.039 . . . . 0.57 113.805 -172.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB3' ' O40' ' A' ' 101' ' ' SOO . 18.7 ptpt -67.44 -3.39 8.3 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 112.778 0.658 . . . . 2.42 112.778 -176.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -99.14 14.63 28.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.095 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.03 144.79 30.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 112.932 0.716 . . . . 0.57 112.932 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HG2' HG23 ' A' ' 68' ' ' THR . 22.5 ttmm -100.81 -74.62 0.61 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.961 -1.018 . . . . 2.91 112.014 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.679 HG23 ' HG2' ' A' ' 67' ' ' LYS . 46.4 p -112.84 -172.93 2.15 Favored 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 108.47 -0.937 . . . . 0.35 108.47 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 4.4 m -82.29 -12.6 12.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.753 0 C-N-CA 118.005 -1.478 . . . . 0.34 109.362 172.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' HD22 ' A' ' 28' ' ' LEU . . . -71.5 -45.48 46.02 Favored Glycine 0 CA--C 1.488 -1.655 0 N-CA-C 108.188 -1.965 . . . . 0.36 108.188 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.12 -38.58 85.83 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 113.629 -1.286 . . . . 1.84 109.609 175.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 69' ' ' VAL . . . -65.99 -44.08 85.9 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-N 115.718 -0.674 . . . . 0.25 111.556 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.0 m -50.69 -57.07 9.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.212 0.605 . . . . 0.29 111.463 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.09 -32.84 74.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.332 0.586 . . . . 1.92 110.498 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.613 ' OH ' ' HB3' ' A' ' 62' ' ' ASP . 55.1 t80 -70.55 -53.2 17.01 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.086 -0.961 . . . . 0.94 109.634 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HG21 ' A' ' 56' ' ' VAL . 90.0 mt -55.83 -43.1 73.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 C-N-CA 123.639 0.776 . . . . 0.36 109.595 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.47 -35.55 74.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.443 0.535 . . . . 0.48 112.443 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.85 -35.28 26.42 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.308 0.575 . . . . 1.38 111.942 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -79.66 -16.02 56.52 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.851 -0.613 . . . . 1.29 111.012 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -84.53 -179.82 7.23 Favored 'General case' 0 CA--C 1.503 -0.861 0 N-CA-C 113.06 0.763 . . . . 1.19 113.06 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.726 0 O-C-N 125.537 1.773 . . . . 2.94 109.218 -175.602 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SOO . . . . . 0.595 ' H6 ' ' CZ ' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_